SCHEMBL2592545

SCHEMBL2592545

CCc1ccc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM6B O15054 7/20 0.42
KDM4A O75164 7/20 0.42
KDM4D Q6B0I6 7/20 0.42
HIF1AN Q9NWT6 7/20 0.42
KDM2A Q9Y2K7 7/20 0.42
KDM5B Q9UGL1 6/20 0.42
KDM3B Q7LBC6 6/20 0.42
NAPRT Q6XQN6 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL9339112 0.82 MAPT (0.49) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL9337517 0.80 KDM4E (0.45) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL4433471 0.80 KDM4E (0.45) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL11372438 0.80 BRS3 (0.43) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL3912930 0.77 KDM4E (0.53) KDM4ESMN1; SMN2KDM6BKDM4AKDM4D
SCHEMBL10757493 0.77 KDM4E (0.45) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25148577 0.76 KDM4E (0.66) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL4428193 0.75 DAO (0.54) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL7016645 0.75 KDM4E (0.41) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL4428237 0.74 KDM4E (0.50) KDM4EKDM6BKDM4AKDM4DHIF1AN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed