SCHEMBL15567932

SCHEMBL15567932

CC(O)Cc1[nH]c(=O)ccc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 7/20 0.33
KDM5A P29375 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 3/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4647626 0.76 KDM5A (0.40) KDM4EKDM5AKDM5BCYP1A2PDE3B
SCHEMBL4966514 0.75 BRS3 (0.34) ALDH1A1KDM4EKDM5AKDM5BCYP1A2
SCHEMBL6205311 0.72 HNF4A (0.45) ALDH1A1KDM4EKDM5AKDM5BSMN1; SMN2
SCHEMBL6902769 0.72 CYP1A2 (0.42) ALDH1A1KDM4ECYP1A2HSD17B10TDP1
SCHEMBL23537975 0.72 HCAR2 (0.39) ALDH1A1KDM4EKDM5AKDM5BGAA
SCHEMBL2434357 0.69 KDM4E (0.39) ALDH1A1KDM4EKDM5BSMN1; SMN2RXFP1
SCHEMBL4146790 0.69 KDM4E (0.47) ALDH1A1KDM4ECYP1A2GAASMN1; SMN2
SCHEMBL6473197 0.68 KDM4E (0.47) ALDH1A1KDM4ERXFP1MMP1MMP2
SCHEMBL16880866 0.67 KMT2A (0.53) ALDH1A1KDM4ECYP1A2GAASMN1; SMN2
SCHEMBL14694284 0.66 UPP1 (0.45) ALDH1A1KDM4ECYP1A2GAASMN1; SMN2

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
WO-2014025651-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 WO disclosed