SCHEMBL5498781

SCHEMBL5498781

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 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
▸ CNR2 P34972 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL5493630 0.93 PNP (0.38) CBLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5502332 0.92 CBLB (0.34) CBLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1401054 0.90 PLA2G2A (0.38) CBLBALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL1947899 0.86 CBLB (0.34) CBLBCYSLTR2CYSLTR1TRPM8
SCHEMBL2792722 0.84 MEN1 (0.36) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL1401180 0.83 PLA2G2A (0.38) CBLBALDH1A1TP53KDM4EMAPT
SCHEMBL3780083 0.83 PLA2G2A (0.38) CBLBTP53KDM4EMAPT
SCHEMBL3779584 0.83 PLA2G2A (0.38) CBLBALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL5498778 0.81 POLB (0.40) POLB
SCHEMBL5493627 0.81 POLB (0.38) POLB

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 disclosed
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 disclosed
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