SCHEMBL14146341

SCHEMBL14146341

Cc1nc(-c2ccc(Cl)cc2)sc1C(O)CCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.47
PPARD Q03181 6/20 0.47
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 2/20 0.40
PTPN1 P18031 7/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14146395 0.91 PPARD (0.51) PPARAPPARDPPARG
SCHEMBL14146457 0.86 PTPN1 (0.44) PPARAPPARDRAB9AKDM4ENPC1
SCHEMBL4740499 0.83 PPARA (0.55) PPARAPPARDRAB9AKDM4ENPC1
SCHEMBL14146854 0.81 PPARD (0.50) PPARAPPARDPPARG
SCHEMBL14146509 0.80 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL14146389 0.80 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL30007634 0.80 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL14146504 0.78 PPARD (0.48) PPARAPPARDPPARGPTPN1
SCHEMBL14146340 0.77 PPARD (0.47) PPARAPPARDPPARG
SCHEMBL4738822 0.76 PPARA (0.55) PPARAPPARDRAB9AKDM4ENPC1

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-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed