SCHEMBL223247

SCHEMBL223247

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 1/20 0.42
PTPN1 P18031 3/20 0.41
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 2/20 0.39
HSPA5 P11021 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5034217 0.90 CYP2C19 (0.42) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL14781410 0.89 PTPN5 (0.48) CYP2C19CYP2D6PTPN1PTPN2PTPN6
SCHEMBL14702266 0.87 CYP2C19 (0.40) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL200188 0.86 BACE1 (0.49) CYP2C19PTPN1CYP2C9CYP1A2CYP3A4
SCHEMBL8900064 0.84 BACE1 (0.47) CYP2C19PTPN1CYP2C9CYP1A2CYP3A4
SCHEMBL10089391 0.83 BACE1 (0.40) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL10089352 0.83 CYP2D6 (0.38) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL10089365 0.82 BACE1 (0.39) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL2485184 0.82 CYP2C19 (0.46) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL10089377 0.82 CYP2D6 (0.37) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428216-B2 Golf ball incorporating a mixture of a thermoset and/or thermoplastic composition and a plurality of conductive nanoshelled structures ACUSHNET COMPANY (US) 2019-10-01 US disclosed
US-20190192922-A1 GOLF BALL COMPRISING MEDIUM HARDNESS GRADIENT CORE ACUSHNET COMPANY (US) 2019-06-27 US disclosed
US-10252115-B2 Golf ball incorporating positive hardness gradient thermoset polyurethane outer cover layer ACUSHNET COMPANY (US) 2019-04-09 US disclosed
US-10220263-B2 Golf balls comprising medium hardness gradient core ACUSHNET COMPANY (US) 2019-03-05 US disclosed
US-10130848-B2 Golf ball multilayer core having a gradient quotient ACUSHNET COMPANY (US) 2018-11-20 US disclosed
US-20180318654-A1 GOLF BALL INCORPORATING POSITIVE HARDNESS GRADIENT THERMOSET POLYURETHANE OUTER COVER LAYER ACUSHNET COMPANY (US) 2018-11-08 US disclosed
US-10112081-B2 Golf ball incorporating positive hardness gradient thermoset polyurethane outer cover layer ACUSHNET COMPANY (US) 2018-10-30 US disclosed
US-10035046-B2 Multilayer core golf ball having hardness gradient within and between each core layer ACUSHNET COMPANY (US) 2018-07-31 US disclosed
US-10029150-B2 Golf ball having medium positive gradient quotient and low trans content ACUSHNET COMPANY (US) 2018-07-24 US disclosed
US-10029151-B2 Multi-layer cover golf ball having a high acid casing layer ACUSHNET COMPANY (US) 2018-07-24 US disclosed
US-20090011863-A1 Negative Hardness Gradient Inner Core for Dual Core Golf Ball JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2009-01-08 US disclosed
US-20090008832-A1 Negative Hardness Gradient Core Produced from a Low, Temperature-Based Cure Cycle Index ACUSHNET COMPANY 2009-01-08 US disclosed
US-20090011855-A1 Golf Ball Core with Soft Outer Transition Volume and Negative Hardness Gradient ACUSHNET COMPANY 2009-01-08 US disclosed
US-20090011867-A1 Multi-Layer Core Golf Ball Having Opposing Hardness Gradient with Steep Gradient Outer Core Layer JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2009-01-08 US disclosed
US-20090011866-A1 Multi-Layer Core Golf Ball Having Opposing Hardness Gradient with Steep Gradient Inner Core Layer JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2009-01-08 US disclosed
US-7429221-B1 Negative hardness gradient outer core layer for dual core golf ball ACUSHNET COMPANY (US) 2008-09-30 US disclosed
US-7410429-B1 Negative hardness gradient inner core for dual core golf ball ACUSHNET COMPANY (US) 2008-08-12 US disclosed
US-20080153629-A1 Thick Outer Cover Layer Golf Ball ACUSHNET COMPANY 2008-06-26 US disclosed
US-20080146380-A1 Thick Outer Cover Layer Golf Ball ACUSHNET COMPANY 2008-06-19 US disclosed
US-20080146378-A1 Thick Inner Cover Multi-layer Golf Ball JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2008-06-19 US disclosed