SCHEMBL7539256

SCHEMBL7539256

COC(=O)[C@H](Cc1ccc(OCC2CCCCC2)cc1)NC(=O)[C@H](Cc1ccccc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
YAP1 P46937 5/20 0.49
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
GPR88 Q9GZN0 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
PPARG P37231 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
SCHEMBL7539258 1.00 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AYAP1
SCHEMBL7539252 1.00 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AYAP1
SCHEMBL7541284 0.92 MME (0.52) YAP1MMP1MMP3MMP9GPR88
SCHEMBL7541280 0.92 MME (0.52) YAP1MMP1MMP3MMP9GPR88
SCHEMBL7541287 0.92 MME (0.52) YAP1MMP1MMP3MMP9GPR88
SCHEMBL7539569 0.91 MMP1 (0.50) ALDH1A1MEN1LMNAKMT2AYAP1
SCHEMBL7539574 0.91 MMP1 (0.50) ALDH1A1MEN1LMNAKMT2AYAP1
SCHEMBL7539566 0.91 MMP1 (0.50) ALDH1A1MEN1LMNAKMT2AYAP1
SCHEMBL7538553 0.87 YAP1 (0.51) ALDH1A1MEN1LMNAKMT2AYAP1
SCHEMBL7545946 0.87 YAP1 (0.51) ALDH1A1MEN1LMNAKMT2AYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed