SCHEMBL11259129

SCHEMBL11259129

CCCc1c(-c2ccncc2)c2cc(OC(C)(C)C(=O)OCC)ccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
FBP1 P09467 7/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
LATS1 O95835 1/20 0.37
ELANE P08246 1/20 0.36
ALOX5 P09917 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11269616 0.89 PPARA (0.44) PPARAPPARGABCB11CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11267416 0.88 PPARG (0.44) PPARAPPARG
SCHEMBL11255207 0.88 PPARA (0.41) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11257510 0.85 PPARA (0.41) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11249243 0.84 PPARA (0.42) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11265797 0.84 PPARA (0.45) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11259439 0.83 KDM4E (0.45) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11265214 0.82 PPARA (0.44) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11263819 0.80 ATM (0.47) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL11290711 0.79 PPARA (0.47) PPARAPPARGABCB11CYP1A2CYP3A4

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed