SCHEMBL9831654

SCHEMBL9831654

CCC(COCc1cc(OC)c(O)c(OC)c1)(c1cccs1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALOX5 P09917 5/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 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
SCHEMBL9832363 0.90 OPRM1 (0.43) MAPTPTGS2OPRM1OPRD1NR1I2
SCHEMBL9830311 0.88 CYP1A2 (0.40) KDM4EGAAALDH1A1MEN1LMNA
SCHEMBL10423292 0.82 KDM4E (0.41) MAPTKDM4EGAAALOX5PTGS1
SCHEMBL9834283 0.81 OPRM1 (0.58) MAPTKDM4EGAAALOX5PTGS1
SCHEMBL9833064 0.80 OPRM1 (0.40) MAPTKDM4EGAAALOX5OPRM1
SCHEMBL9832269 0.77 MAPT (0.36) MAPTKDM4EGAAALOX5PTGS1
SCHEMBL9833154 0.76 MET (0.40) MAPTKDM4EGAAALOX5PTGS1
SCHEMBL9799289 0.75 OPRM1 (0.43) MAPTKDM4EGAAPTGS2OPRM1
SCHEMBL9799267 0.72 CYP3A4 (0.46) KDM4EOPRM1CHRM2ADRA2BSLC6A4
SCHEMBL9799232 0.72 OPRM1 (0.40) MAPTPTGS2OPRM1OPRD1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 — — EP claimed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 — — US claimed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 — — EP claimed
EP-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 — — EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 — — US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 — — EP disclosed
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