SCHEMBL11713639

SCHEMBL11713639

CC(C)c1ccc(OC(C(=O)O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10540133 0.85 PPARG (0.53) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL21057175 0.85 PPARG (0.53) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL17904962 0.84 PPARG (0.62) PPARGPPARAKMT2ARAB9AMEN1
SCHEMBL8846721 0.84 PPARG (0.62) PPARGPPARAKMT2ARAB9AMEN1
SCHEMBL8935857 0.84 PPARG (0.62) PPARGPPARAKMT2ARAB9AMEN1
SCHEMBL11519440 0.82 CYP1A2 (0.65) PPARGPPARARXRARXRBKMT2A
SCHEMBL11708010 0.82 PPARG (0.53) PPARGPPARAKMT2AMEN1CYP2C9
SCHEMBL11519130 0.82 PPARG (0.53) PPARGPPARAKMT2ACYP2C9CYP1A2
SCHEMBL11715391 0.82 TAS1R3 (0.55) PPARGPPARAKMT2ACYP2C9CYP1A2
SCHEMBL11221205 0.81 RXRA (0.43) RXRARXRBKMT2ARAB9AMEN1

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-4056628-A Insecticidal esters of alpha-phenoxy alkanoic acids with substituted benzyl alcohols HOFFMANN-LA ROCHE INC. (US) 1977-11-01 US disclosed