SCHEMBL8640485

SCHEMBL8640485

CCC(O)(Cc1ccc(OC)cc1)c1c(OC)csc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.36
▸ LTA4H P09960 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ CASR P41180 2/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 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
SCHEMBL8639151 0.90 ALDH1A1 (0.41) NR3C1KMT2ACASRTUBB4ATUBB
SCHEMBL8641470 0.88 LTA4H (0.43) LTA4HKMT2ACASRHTTSMN1; SMN2
SCHEMBL8641037 0.84 NR3C1 (0.39) NR3C1KMT2ACASRTUBB4ATUBB
SCHEMBL8641306 0.81 ALDH1A1 (0.35) NR3C1MAPTSMN1; SMN2ALDH1A1ERN1
SCHEMBL8641236 0.73 NR3C1 (0.37) NR3C1KMT2AMAPTCASRALDH1A1
SCHEMBL5521328 0.68 IDO1 (0.47) LTA4HCASRHTTSMN1; SMN2ALDH1A1
SCHEMBL9137688 0.67 TUBB4A (0.50) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8640057 0.67 LDHA (0.44) CYP1A2CYP2C19
SCHEMBL11336433 0.66 IDO1 (0.50) LTA4HHTTALDH1A1TDP1IDO1
SCHEMBL8640593 0.66 SMN1; SMN2 (0.49) KMT2AMAPTMEN1HTTSMN1; 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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