SCHEMBL8640478

SCHEMBL8640478

CCC(O)(Cc1ccc(OC)cc1)c1ccc(OC)cc1SC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ IDO1 P14902 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CRHR1 P34998 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CASR P41180 2/20 0.34
▸ CALM1 P0DP23 2/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33

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
SCHEMBL8639144 0.91 ALDH1A1 (0.42) MAPTIDO1HPGDCRHR1NR3C1
SCHEMBL8641462 0.89 LTA4H (0.44) MAPTHPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8641228 0.89 HPGD (0.38) MAPTIDO1HPGDCRHR1NR3C1
SCHEMBL8641031 0.84 NR3C1 (0.40) MAPTIDO1HPGDCRHR1NR3C1
SCHEMBL8641291 0.81 ALDH1A1 (0.39) MAPTIDO1HPGDNR3C1KMT2A
SCHEMBL8637517 0.80 ALDH1A1 (0.42) MAPTIDO1HPGDCRHR1NR3C1
SCHEMBL8639548 0.76 NR3C1 (0.40) MAPTIDO1HPGDNR3C1KMT2A
SCHEMBL8641236 0.72 NR3C1 (0.37) MAPTIDO1NR3C1KMT2AALDH1A1
SCHEMBL16905119 0.72 KCNJ11 (0.40) MAPTCRHR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18589794 0.71 HSD11B1 (0.42) MAPTCRHR1NR3C1KMT2ASMN1; SMN2

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
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