SCHEMBL8639554

SCHEMBL8639554

COc1ccc(CC(C)(O)c2cc(OC)sc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.40
▸ CALM1 P0DP23 1/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ CASR P41180 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL8641236 0.84 NR3C1 (0.37) NR3C1CALM1HDAC3HDAC1HDAC4
SCHEMBL8637521 0.81 ALDH1A1 (0.45) NR3C1CALM1HDAC3HDAC1HDAC4
SCHEMBL7710668 0.73 AOC3 (0.57) CALM1ALOX15KMT2AAOC3LMNA
SCHEMBL26695481 0.72 IDO1 (0.54) CALM1ALOX15IDO1ALOX12
SCHEMBL8639548 0.71 NR3C1 (0.40) NR3C1CALM1KMT2AAOC3CASR
SCHEMBL8641031 0.71 NR3C1 (0.40) NR3C1CALM1ALOX15KMT2AAOC3
SCHEMBL11132376 0.70 IDO1 (0.50) NR3C1CALM1ALOX15AOC3CASR
SCHEMBL809115 0.70 IDO1 (0.50) NR3C1CALM1ALOX15AOC3CASR
SCHEMBL21721638 0.70 PTGS2 (0.39) ALOX15MAPTLMNAPOLB
SCHEMBL8641037 0.70 NR3C1 (0.39) NR3C1CALM1KMT2AAOC3CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 — — EP disclosed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 — — US disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 — — WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 — — EP disclosed
Send feedback