SCHEMBL6282371

SCHEMBL6282371

CCC(C)(c1ccc(I)cc1)C(C)(CC)c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ABCC9 O60706 1/20 0.33
KCNJ11 Q14654 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SHBG P04278 1/20 0.32
KIF11 P52732 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL13016 0.82 NPC1 (0.50) APPNPC1RAB9AMAPTESR1
SCHEMBL9907013 0.81 APP (0.39) APPNPC1RAB9AMAPTESR1
SCHEMBL15142926 0.81 APP (0.39) APPNPC1RAB9AMAPTESR1
Iodide SCHEMBL5175074 0.80 NPC1 (0.48) APPNPC1RAB9AMAPTLMNA
SCHEMBL26844942 0.80 ESR1 (0.45) APPNPC1RAB9AMAPTESR1
SCHEMBL27431164 0.78 APP (0.40) APPNPC1RAB9AMAPTESR1
SCHEMBL3023090 0.77 TSHR (0.55) NPC1RAB9AMAPTESR1ESR2
SCHEMBL474982 0.76 TAAR1 (0.50) MAPTESR1ESR2TAAR1MAPK1
SCHEMBL3688140 0.75 CYP2A6 (0.40) ESR1ESR2TAAR1
SCHEMBL6280416 0.75 KMT2A (0.52) ESR1ESR2LMNAMAPK1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
CN-103877703-A Dual-Core Comprising Zero Gradient Center And Positive Gradient Outer Core Layer ACUSHNET CO 2014-06-25 CN disclosed
US-20130109504-A1 DUAL-CORE COMPRISING ZERO GRADIENT CENTER AND POSITIVE GRADIENT OUTER CORE LAYER ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130109506-A1 GOLF BALL COMPRISING A CORE HAVING A SHALLOW HARDNESS GRADIENT ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US disclosed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US disclosed