SCHEMBL9799267

SCHEMBL9799267

CCC(CCCc1ccc(OC)c(OC)c1)(c1cccs1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ BLM P54132 2/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ SMPD1 P17405 3/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ SLC22A1 O15245 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL9799232 0.89 OPRM1 (0.40) CYP3A4CYP2D6CYP1A2AOC3SMN1; SMN2
SCHEMBL10423292 0.88 KDM4E (0.41) KDM4ECHRM2ADRA2BSLC6A4OPRM1
SCHEMBL9830311 0.82 CYP1A2 (0.40) CYP3A4CYP2D6CYP1A2BLMPMP22
SCHEMBL9799293 0.80 FDPS (0.38) AOC3SMN1; SMN2KCNH2
SCHEMBL9799289 0.76 OPRM1 (0.43) CYP3A4CYP2D6CYP1A2AOC3KDM4E
SCHEMBL9832363 0.73 OPRM1 (0.43) CYP3A4CYP2D6CYP1A2AOC3SMN1; SMN2
SCHEMBL9831867 0.73 OPRM1 (0.40) CYP3A4CYP2D6CYP1A2KDM4ESMN1; SMN2
SCHEMBL9831654 0.72 MAPT (0.41) CYP3A4KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL9832269 0.71 MAPT (0.36) CYP3A4KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL16382429 0.68 ATM (0.58) CYP3A4CYP2D6CYP1A2BLMPMP22

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP disclosed
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