SCHEMBL8641470

SCHEMBL8641470

COc1ccc(CC(O)(Cc2ccccc2)c2c(OC)csc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.43
▸ HTT P42858 1/20 0.39
▸ MMP1 P03956 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CASR P41180 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ACHE P22303 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
SCHEMBL8640485 0.88 NR3C1 (0.36) LTA4HHTTCASRCYP1A2CYP2C9
SCHEMBL8639151 0.86 ALDH1A1 (0.41) HTTMMP13CASRNPC1KMT2A
SCHEMBL8641037 0.83 NR3C1 (0.39) HTTCASRNPC1KMT2ALMNA
SCHEMBL8641306 0.79 ALDH1A1 (0.35) CYP2C19SMN1; SMN2
SCHEMBL28222289 0.72 LTA4H (0.62) LTA4HHTTMMP1MMP13SIGMAR1
SCHEMBL2671508 0.68 LTA4H (0.60) LTA4HHTTMMP1MMP13SIGMAR1
SCHEMBL10368035 0.67 HTT (0.56) LTA4HHTTMMP1MMP13SIGMAR1
SCHEMBL7025430 0.67 LTA4H (0.53) LTA4HHTTMMP1MMP13SIGMAR1
SCHEMBL8612119 0.67 LTA4H (0.53) LTA4HHTTMMP1MMP13SIGMAR1
SCHEMBL9137688 0.66 TUBB4A (0.50) SIGMAR1RAB9AABCB1

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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