SCHEMBL11249243

SCHEMBL11249243

CCCn1c(C)c(-c2ccncc2)c2cc(OC(C)(C)C(=O)OCC)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
PMP22 Q01453 2/20 0.42
ABCB11 O95342 1/20 0.42
HTR2A P28223 1/20 0.42
KMT2A Q03164 1/20 0.41
PPARG P37231 2/20 0.40
FBP1 P09467 7/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 3/20 0.38
LATS1 O95835 1/20 0.37
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
CNR1 P21554 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
SCHEMBL11259439 0.94 KDM4E (0.45) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11262412 0.92 PPARA (0.42) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11265214 0.92 PPARA (0.44) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11254917 0.90 KDM4E (0.41) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11269239 0.89 KMT2A (0.47) PPARACYP1A2CYP3A4TSHRPMP22
Hydrochloric Acid SCHEMBL11251082 0.89 KDM4E (0.41) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11266063 0.89 PLA2G2A (0.40) CYP1A2CYP3A4TSHRPMP22KMT2A
SCHEMBL11269616 0.89 PPARA (0.44) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11266751 0.89 PPARA (0.41) PPARACYP1A2CYP3A4TSHRPMP22
SCHEMBL11256466 0.88 PPARA (0.56) PPARACYP1A2CYP3A4TSHRPMP22

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