SCHEMBL11596113

SCHEMBL11596113

CC(C)(C)c1ccc(OCCOc2ccc(C(C)(Oc3ccc(Cl)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PPARG P37231 5/20 0.49
PPARD Q03181 3/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
FABP2 P12104 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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 0.96 PPARA (0.50) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11595598 0.96 PPARA (0.55) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11596999 0.93 SMN1; SMN2 (0.57) PPARAKMT2AMEN1SMN1; SMN2PPARG
SCHEMBL11595796 0.92 PPARA (0.51) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11595888 0.92 PPARA (0.54) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11596810 0.90 PPARA (0.51) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11596932 0.86 PPARA (0.52) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11598113 0.85 PPARA (0.55) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11596959 0.84 PPARD (0.46) PPARAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11598533 0.84 PPARA (0.44) PPARAKMT2AMEN1CYP1A2CYP3A4

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