SCHEMBL14432172

SCHEMBL14432172

Cc1cc(C)c(C2=C(O)C3(CCC(C)CC3)NC2=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.50
ACACA Q13085 11/20 0.50
THRB P10828 1/20 0.38
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.34
FPR2 P25090 1/20 0.34
PDE7A Q13946 1/20 0.33

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
SCHEMBL16490009 0.87 ACACB (0.56) ACACBACACATHRBFPR2
SCHEMBL11941310 0.87 ACACB (0.56) ACACBACACATHRBFPR2
SCHEMBL11941309 0.84 ACACB (0.56) ACACBACACATHRBLMNA
SCHEMBL14689609 0.84 ACACB (0.53) ACACBACACATHRBLMNAFPR2
SCHEMBL14689611 0.84 ACACB (0.53) ACACBACACATHRBLMNAFPR2
SCHEMBL12458437 0.84 ACACB (0.53) ACACBACACATHRBLMNAFPR2
SCHEMBL14609737 0.83 ACACB (0.49) ACACBACACATHRBFPR2PDE7A
SCHEMBL15472968 0.82 ACACB (0.47) ACACBACACAHTT
SCHEMBL11989356 0.81 ACACB (0.43) ACACBACACATHRBHTTLMNA
SCHEMBL14432204 0.80 THRB (0.36) ACACBACACATHRBHTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed