SCHEMBL5493630

SCHEMBL5493630

C=C(c1cccc(C(CCO)c2ccccc2C(=O)O)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ CBLB Q13191 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ POLB P06746 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
SCHEMBL5498781 0.93 CBLB (0.34) TRPM8CBLBMEN1KMT2ANPC1
SCHEMBL5502332 0.92 CBLB (0.34) TRPM8CBLBMEN1KMT2ANPC1
SCHEMBL1401180 0.90 PLA2G2A (0.38) PNPCBLBALDH1A1TP53
SCHEMBL1401054 0.83 PLA2G2A (0.38) CBLBALDH1A1TP53SMN1; SMN2
SCHEMBL3779584 0.83 PLA2G2A (0.38) CBLBALDH1A1TP53SMN1; SMN2
SCHEMBL3780083 0.83 PLA2G2A (0.38) CBLBTP53
SCHEMBL5498778 0.81 POLB (0.40) POLB
SCHEMBL5493627 0.81 POLB (0.38) POLB
SCHEMBL5502331 0.80 POLB (0.38) POLB
SCHEMBL1947899 0.79 CBLB (0.34) TRPM8CBLBCYSLTR2CYSLTR1

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-1812393-A2 \"METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES” Matrix Laboratories Ltd (IN) 2007-08-01 — — EP claimed
WO-2006008750-A2 METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES MATRIX LABORATORIES LTD (IN) 2006-01-26 — — WO claimed
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