SCHEMBL10540980

SCHEMBL10540980

Cc1ccccc1N(CC(=O)O)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
TEAD1 P28347 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
TP53 P04637 2/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2485496 0.91 TRPM8 (0.44) TRPM8CYP3A4LMNATDP1TEAD1
Hydrochloric Acid SCHEMBL2485467 0.89 TRPM8 (0.43) TRPM8CYP3A4LMNATDP1TEAD1
SCHEMBL3948272 0.84 NOTUM (0.50) TRPM8CYP3A4LMNATDP1TEAD1
SCHEMBL1028025 0.84 TDP1 (0.56) TRPM8CYP3A4LMNATDP1TEAD1
SCHEMBL9780053 0.81 TRPM8 (0.45) TRPM8CYP3A4LMNATDP1TEAD1
SCHEMBL28635231 0.79 CYP3A4 (0.47) TRPM8CYP3A4LMNATDP1TEAD1
SCHEMBL4646824 0.78 AKR1B1 (0.47) TDP1KEAP1NFE2L2ALDH1A1
SCHEMBL8922646 0.77 TRPM8 (0.53) TRPM8CYP3A4LMNATEAD1TP53
SCHEMBL9134325 0.75 TRPM8 (0.51) TRPM8CYP3A4LMNATEAD1TP53
SCHEMBL7196096 0.74 TRPM8 (0.40) TRPM8CYP3A4LMNATDP1TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4846877-A CYCLIC DIMERS OF PHENYLGLYCINE TEIJIN LIMITED (JP) 1989-07-11 US disclosed
US-4772314-A PHENYLGLYCINES, MONOMERIC TEIJIN LIMITED (JP) 1988-09-20 US disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 US disclosed