SCHEMBL8639442

SCHEMBL8639442

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ TUBB1 Q9H4B7 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ TUBB4A P04350 3/20 0.33
▸ TUBB P07437 3/20 0.33
▸ TUBA3C P0DPH7 3/20 0.33
▸ TUBA1B P68363 3/20 0.33
▸ TUBA4A P68366 3/20 0.33
▸ TUBB4B P68371 3/20 0.33
▸ TUBB3 Q13509 3/20 0.33
▸ TUBB2A Q13885 3/20 0.33
▸ TUBB8 Q3ZCM7 3/20 0.33
▸ TUBA3E Q6PEY2 3/20 0.33
▸ TUBA1A Q71U36 3/20 0.33
▸ TUBA1C Q9BQE3 3/20 0.33
▸ TUBB6 Q9BUF5 3/20 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
SCHEMBL8636949 0.83 MAPT (0.38) TDP1TUBB1ALDH1A1MAPTHPGD
SCHEMBL8639165 0.81 NQO2 (0.42) TDP1TUBB1ALDH1A1MAPTHPGD
SCHEMBL8636917 0.76 MAPT (0.40) TDP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL8636985 0.75 TUBB1 (0.52) TDP1TUBB1ALDH1A1MAPTHPGD
SCHEMBL8639439 0.70 FLT3 (0.40) ALDH1A1MAPTHPGDKDM4ETRPV1
SCHEMBL8639436 0.70 FLT3 (0.40) ALDH1A1MAPTHPGDKDM4ETRPV1
SCHEMBL8641306 0.67 ALDH1A1 (0.35) ALDH1A1MAPTTRPV1CYP3A4TSHR
SCHEMBL8640593 0.63 SMN1; SMN2 (0.49) TDP1ALDH1A1MAPTHPGDCYP3A4
SCHEMBL8635619 0.62 RELA (0.53) TUBB1ALDH1A1HPGDKDM4ETUBB4A
SCHEMBL29005914 0.60 L3MBTL1 (0.77) ALDH1A1MAPTCYP3A4TSHRCYP1A2

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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