SCHEMBL1157774

SCHEMBL1157774

N[C@@H](CCSc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
FFAR1 O14842 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MMP2 P08253 1/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1157776 1.00 KIF11 (0.50) KIF11ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL1157769 1.00 KIF11 (0.50) KIF11ALDH1A1MAPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9030903 0.98 KIF11 (0.49) KIF11ALDH1A1MAPK1CYP1A2CYP3A4
Benzenethiol SCHEMBL11584586 0.92 KIF11 (0.44) KIF11ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL8324377 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL16724757 0.82 ALDH1A1 (0.47) KIF11ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL1157625 0.81 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL342512 0.81 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL6223407 0.81 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL5423391 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888417-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2011-02-15 US disclosed
US-20080261722-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-10-23 US disclosed
US-20080227567-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-09-18 US disclosed
US-20080176678-A1 Compositions for Use in Golf Balls ACUSHNET COMPANY 2008-07-24 US disclosed
US-7361711-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-22 US disclosed
US-7358310-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-7358309-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-7358308-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-20060281586-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20060281587-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20050245657-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-20050245652-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed