SCHEMBL3228023

SCHEMBL3228023

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MRGPRX4 Q96LA9 6/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CDH1 P12830 1/20 0.39
▸ APC P25054 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ TCF7L2 Q9NQB0 1/20 0.39

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
SCHEMBL4957637 0.85 MAPT (0.44) CNR2NPC1RAB9AL3MBTL1MRGPRX4
SCHEMBL9757049 0.83 NR4A2 (0.41) CNR2KDM4EMEN1ALDH1A1LMNA
SCHEMBL9335553 0.82 UNG (0.41) CNR2NPC1RAB9AKDM4EMEN1
SCHEMBL9756946 0.80 CYSLTR2 (0.45) CNR2NPC1RAB9AL3MBTL1MRGPRX4
SCHEMBL9335423 0.80 PRSS1 (0.38) CNR2NPC1RAB9AMRGPRX4MAPT
SCHEMBL2050999 0.80 MEN1 (0.39) CNR2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL4961177 0.80 ALDH1A1 (0.46) CNR2NPC1RAB9AMGAMKDM4E
SCHEMBL9339015 0.78 CBLB (0.41) CNR2NR4A2AR
SCHEMBL5493627 0.78 POLB (0.38) POLB
SCHEMBL29527233 0.77 MGAM (0.58) CNR2RAB9AMRGPRX4MGAMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO claimed
WO-2008035379-A3 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2010-02-18 — — WO disclosed
WO-2009001374-A2 PREPARATION OF ETHYL-3'-[((7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL]-3-OXOPROPANOATE, A KEY INTERMEDIATE FOR MONTELUKAST SODIUM APTUIT LAURUS PVT LTD (IN) 2008-12-31 — — WO disclosed
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO disclosed
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO disclosed
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