SCHEMBL11255207

SCHEMBL11255207

CCOC(=O)C(C)(C)Oc1ccc2c(c1)c(-c1ccncc1)c(Cc1ccccc1)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.41
ELANE P08246 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ABCB11 O95342 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ACSL1 P33121 2/20 0.37
GRM2 Q14416 1/20 0.37
FBP1 P09467 2/20 0.36
F2RL3 Q96RI0 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL11259060 0.89 PTPN7 (0.40) PPARAPPARGKMT2AMEN1F2RL3
SCHEMBL11259129 0.88 PPARA (0.42) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11269616 0.87 PPARA (0.44) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11290711 0.82 PPARA (0.47) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11257510 0.81 PPARA (0.41) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11249243 0.81 PPARA (0.42) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11265214 0.80 PPARA (0.44) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11265797 0.80 PPARA (0.45) PPARAPPARGELANECYP1A2CYP3A4
SCHEMBL11265325 0.79 ADORA2B (0.43) PPARAPPARGCYP1A2CYP3A4ABCB11
SCHEMBL11266751 0.79 PPARA (0.41) PPARAPPARGELANECYP1A2CYP3A4

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