SCHEMBL9834231

SCHEMBL9834231

CCC(C)(OC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ BRD4 O60885 1/20 0.46
▸ NR1I2 O75469 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TNFRSF1A P19438 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL10560140 0.84 L3MBTL1 (0.51) L3MBTL1BRD4NR1I2CHRM2ADORA3
SCHEMBL9832805 0.77 OPRM1 (0.70) L3MBTL1BRD4NR1I2CHRM2ADORA3
SCHEMBL9833668 0.76 OPRM1 (0.57) L3MBTL1BRD4NR1I2CHRM2ADORA3
SCHEMBL9834251 0.76 OPRM1 (0.60) L3MBTL1BRD4NR1I2CHRM2ADORA3
Fumaric Acid SCHEMBL9832433 0.72 ALDH1A1 (0.74) L3MBTL1BRD4NR1I2CHRM2ADORA3
Maleic Acid SCHEMBL9832430 0.72 ALDH1A1 (0.74) L3MBTL1BRD4NR1I2CHRM2ADORA3
SCHEMBL20887795 0.70 RIPK1 (0.36) CHRM2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL10583553 0.70 L3MBTL1 (0.40) L3MBTL1BRD4NR1I2CHRM2ADORA3
SCHEMBL27531918 0.69 L3MBTL1 (0.43) L3MBTL1BRD4LMNAPOLBALDH1A1
SCHEMBL16525895 0.68 OPRM1 (0.69) L3MBTL1NR1I2CHRM2ADORA3ADRA2B

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 2 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 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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