SCHEMBL11765630

SCHEMBL11765630

CCCCCCCc1ccc(C=CC(=O)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.54
▸ THRB P10828 4/20 0.54
▸ PLA2G1B P04054 10/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ TRPM2 O94759 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ CYSLTR2 Q9NS75 1/20 0.53
▸ CYSLTR1 Q9Y271 1/20 0.53
▸ ATG4B Q9Y4P1 11/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52

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
SCHEMBL11760921 1.00 THRA (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL6942264 1.00 THRA (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL6942269 1.00 THRA (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11765624 1.00 THRA (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11760926 1.00 THRA (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11766309 0.98 PLA2G1B (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11766306 0.98 PLA2G1B (0.54) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11763066 0.94 ALDH1A1 (0.50) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11763060 0.94 ALDH1A1 (0.50) THRATHRBPLA2G1BTRPA1TRPM2
SCHEMBL11768167 0.87 ALDH1A1 (0.50) THRBPLA2G1BTRPA1TRPM2TRPM8

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
US-4061587-A Liquid crystalline cinnamic acid esters HOFFMANN-LA ROCHE INC. (US) 1977-12-06 — — US disclosed
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