SCHEMBL11264502

SCHEMBL11264502

CCOC(=O)C(C)(C)Oc1ccc2c(c1)c(-c1cccc(C)c1)c(C)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
ABCB11 O95342 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARG P37231 2/20 0.44
FBP1 P09467 6/20 0.42
ELANE P08246 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL11290711 0.93 PPARA (0.47) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11266988 0.90 PPARA (0.51) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11263047 0.89 PPARA (0.46) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11259052 0.88 KDM4E (0.51) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11265231 0.87 PTPN7 (0.46) PPARACYP1A2CYP3A4PPARGSMN1; SMN2
SCHEMBL11255456 0.86 CYP1A2 (0.45) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11267723 0.86 PPARA (0.45) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11262074 0.85 PPARA (0.59) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11269616 0.85 PPARA (0.44) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11261797 0.84 PPARA (0.43) PPARACYP1A2CYP3A4ABCB11TSHR

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