SCHEMBL6858324

SCHEMBL6858324

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2cccc(C(=O)C3CC3)c2n1Cc1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
FABP4 P15090 1/20 0.42
MAPK8 P45983 2/20 0.41
EDNRB P24530 1/20 0.40
PPARG P37231 3/20 0.39
F10 P00742 1/20 0.38
SERPINE1 P05121 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 2/20 0.37
TP53 P04637 1/20 0.37
PLA2G2A P14555 1/20 0.37
BRD4 O60885 1/20 0.36
MAPK14 Q16539 1/20 0.36
CACNA1G O43497 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL6856142 0.87 KDM4E (0.42) KDM4EALDH1A1MAPTFABP4MAPK8
SCHEMBL6858311 0.80 MAPT (0.45) KDM4EALDH1A1MAPTFABP4MAPK8
SCHEMBL6858294 0.80 MAPK8 (0.46) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6858326 0.80 EDNRB (0.40) KDM4EALDH1A1MAPTFABP4MAPK8
SCHEMBL6858370 0.79 KMT2A (0.44) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6859438 0.78 KMT2A (0.42) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6858375 0.78 KMT2A (0.47) MAPK8EDNRBPPARGSERPINE1KMT2A
SCHEMBL6851232 0.78 KMT2A (0.47) MAPK8EDNRBPPARGSERPINE1KMT2A
SCHEMBL6855786 0.77 SERPINE1 (0.47) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6856133 0.77 EDNRB (0.47) KDM4EALDH1A1MAPTMAPK8EDNRB

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