SCHEMBL11835232

SCHEMBL11835232

COc1ccc(Cc2ccc(C(=O)O)c(=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KDM5A P29375 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
ERAP1 Q9NZ08 1/20 0.49
POLB P06746 3/20 0.48
BRS3 P32247 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
DAO P14920 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.44
PTPN5 P54829 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
LDHA P00338 1/20 0.43

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
SCHEMBL11841940 0.84 KDM4C (0.58) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL11836193 0.82 KDM4E (0.42) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4428237 0.82 KDM4E (0.50) KDM4EKDM5AKDM5BBRS3DAO
SCHEMBL3912930 0.82 KDM4E (0.53) KDM4ESMN1; SMN2KDM5AKDM5BBRS3
SCHEMBL3917621 0.81 DAO (0.46) KDM4EKDM5AKDM5BBRS3DAO
SCHEMBL3920671 0.81 DAO (0.54) KDM4EALDH1A1GAASMN1; SMN2KDM5B
SCHEMBL4430485 0.81 KDM4E (0.41) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4428346 0.80 CAPN1 (0.42) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4433258 0.79 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL11836096 0.78 DAO (0.52) ALDH1A1SMN1; SMN2KDM5AKDM5BERAP1

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
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 US disclosed