SCHEMBL6858326

SCHEMBL6858326

CCc1ccc(C(=O)C2CC2)c2c1c(-c1ccc(C(C)(C)C)cc1)c(C(=O)O)n2Cc1cccc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
FABP4 P15090 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SERPINE1 P05121 3/20 0.38
CCR9 P51686 1/20 0.37
EDNRA P25101 1/20 0.37
CACNA1G O43497 1/20 0.36
MAPK8 P45983 1/20 0.36
CCR2 P41597 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6856145 0.89 EDNRB (0.41) EDNRBFABP4KDM4EALDH1A1MAPT
SCHEMBL6858324 0.80 KDM4E (0.43) EDNRBFABP4KDM4EALDH1A1MAPT
SCHEMBL6857652 0.73 SERPINE1 (0.57) EDNRBMAPTSERPINE1EDNRAPOLB
SCHEMBL6856142 0.72 KDM4E (0.42) EDNRBFABP4KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6859387 0.70 SERPINE1 (0.57) EDNRBSERPINE1EDNRAMAPK8
SCHEMBL6856151 0.69 SERPINE1 (0.50) EDNRBSERPINE1CCR9EDNRA
SCHEMBL27597871 0.69 SERPINE1 (0.49) EDNRBSERPINE1CCR9EDNRA
SCHEMBL6851399 0.67 SERPINE1 (0.49) MAPTSERPINE1CACNA1GMAPK8POLB
SCHEMBL6859339 0.67 YWHAH (0.47) EDNRBEDNRAPOLB
SCHEMBL6858283 0.66 MAPK8 (0.45) EDNRBSERPINE1EDNRACACNA1GMAPK8

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-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed