SCHEMBL8641306

SCHEMBL8641306

C=CCCCCC(O)(Cc1ccc(OC)cc1)c1c(OC)csc1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL8639151 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NR3C1ERN1
SCHEMBL8640485 0.81 NR3C1 (0.36) ALDH1A1CYP3A4SMN1; SMN2MAPTCYP2C19
SCHEMBL8641470 0.79 LTA4H (0.43) SMN1; SMN2CYP2C19
SCHEMBL8641037 0.75 NR3C1 (0.39) NR3C1ERN1
SCHEMBL8641291 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL8639442 0.67 TDP1 (0.34) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL6056697 0.65 ALOX15 (0.58) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL8076016 0.63 ALOX15 (0.56) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL8076317 0.63 ALOX15 (0.56) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL8077879 0.63 ALOX15 (0.56) ALDH1A1CYP3A4TP53ALOX15TSHR

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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