SCHEMBL7471932

SCHEMBL7471932

CCCCN(C=O)c1ccc2[nH]c(Cc3ccccc3C(=O)OCC)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7471586 0.89 KDM4E (0.39) HSD17B10USP2GAAKDM4EALDH1A1
SCHEMBL7477511 0.79 ALOX5 (0.48) HSD17B10GAAMEN1KMT2AKDM4E
SCHEMBL28750014 0.78 TSHR (0.50) HSD17B10GAAMEN1KMT2AKDM4E
SCHEMBL7469855 0.78 GABRA1 (0.46) HSD17B10GAAMEN1KMT2AKDM4E
SCHEMBL7481382 0.78 ALDH1A1 (0.46) HSD17B10GAAMEN1KMT2ACYP1A2
SCHEMBL7474003 0.77 HRH3 (0.60) HSD17B10GAAMEN1KMT2AKDM4E
SCHEMBL7477279 0.76 PDGFRB (0.49) HSD17B10GAAMEN1KMT2AKDM4E
SCHEMBL27583573 0.76 BRD4 (0.36) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7478060 0.75 CYP11B1 (0.43) HSD17B10GAAMEN1KMT2AKDM4E
SCHEMBL7481943 0.75 SMN1; SMN2 (0.46) HSD17B10MEN1KMT2AKDM4EALDH1A1

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-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed