SCHEMBL10437109

SCHEMBL10437109

O=C(O)CCSC(CCc1ccccc1C(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 4/20 0.69
▸ CYSLTR2 Q9NS75 2/20 0.69
▸ ABCC1 P33527 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ ABCB11 O95342 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ ABCC3 O15438 1/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ ABCC5 O15440 1/20 0.61
▸ SLCO2B1 O94956 1/20 0.61
▸ ABCC2 Q92887 1/20 0.61
▸ SLCO1B3 Q9NPD5 1/20 0.61
▸ ABCG2 Q9UNQ0 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ EGFR P00533 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ NR3C1 P04150 1/20 0.61
▸ FYN P06241 1/20 0.61

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
SCHEMBL10437111 1.00 CYSLTR1 (0.69) CYSLTR1CYSLTR2ABCC1MEN1ABCB11
SCHEMBL9755780 0.99 CYSLTR1 (0.68) CYSLTR1CYSLTR2ABCC1MEN1ABCB11
SCHEMBL9755778 0.93 CYSLTR1 (0.66) CYSLTR1CYSLTR2ABCC1MEN1ABCB11
SCHEMBL9755782 0.93 CYSLTR1 (0.66) CYSLTR1CYSLTR2ABCC1MEN1ABCB11
SCHEMBL9204404 0.92 ABCC1 (0.68) CYSLTR1CYSLTR2ABCC1MEN1ABCB11
SCHEMBL9204399 0.92 ABCC1 (0.68) CYSLTR1CYSLTR2ABCC1MEN1ABCB11
SCHEMBL8499103 0.89 MEN1 (0.64) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL8500914 0.89 MEN1 (0.64) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL8499107 0.89 MEN1 (0.64) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL8500937 0.89 MEN1 (0.63) CYSLTR1CYSLTR2MEN1ABCB11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP claimed
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