SCHEMBL11596106

SCHEMBL11596106

CC(C)(C)c1ccc(OC(C)(C(=O)O)c2ccc(OCCCOc3ccc(Cl)cc3)cc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
PPARA Q07869 16/20 0.50
PPARD Q03181 8/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PPARG P37231 7/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

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
SCHEMBL11597072 0.86 PPARA (0.50) CYP2C19PPARAPPARDKDM4EGAA
SCHEMBL11595888 0.84 PPARA (0.54) CYP2C19PPARAPPARDKDM4ESMN1; SMN2
SCHEMBL11596959 0.84 PPARD (0.46) CYP2C19PPARAPPARDKDM4EGAA
SCHEMBL11596113 0.82 PPARA (0.51) CYP2C19PPARAPPARDKDM4EGAA
SCHEMBL11598181 0.81 MCL1 (0.47) CYP2C19PPARAPPARDKDM4EGAA
SCHEMBL11595598 0.80 PPARA (0.55) CYP2C19PPARAPPARDKDM4ESMN1; SMN2
SCHEMBL11597880 0.79 CYP2C19 (0.49) CYP2C19PPARAPPARDKDM4EGAA
SCHEMBL11597279 0.79 PPARD (0.50) CYP2C19PPARAPPARDKDM4EPPARG
SCHEMBL11598665 0.79 PPARA (0.46) CYP2C19PPARAPPARDKDM4EPPARG
SCHEMBL11596932 0.79 PPARA (0.52) CYP2C19PPARAPPARDSMN1; SMN2PPARG

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-4125732-A HYPOLIPIDEMIC AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed