SCHEMBL16592191

SCHEMBL16592191

CON1CCC2(CC1)NC(C)=C(c1cc(C)ccc1C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.34
ACACB O00763 7/20 0.33
ACACA Q13085 7/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL249181 0.81 ACACB (0.53) KMT2ATHRBACACBACACABRD4
SCHEMBL29735375 0.81 ACACB (0.53) KMT2ATHRBACACBACACABRD4
SCHEMBL2759740 0.81 ACACB (0.39) KMT2ATHRBACACBACACATP53
SCHEMBL19809119 0.79 ACACB (0.37) KMT2AACACBACACABRD4
SCHEMBL325852 0.78 ACACB (0.39) KMT2ATHRBACACBACACA
SCHEMBL16592187 0.78 TP53 (0.32) KMT2AACACBACACATP53BRD4
SCHEMBL16592186 0.78 HSD11B1 (0.35) KMT2APOLBTP53ALDH1A1CA1
SCHEMBL2759747 0.76 ACACB (0.39) KMT2ATHRBACACBACACAALDH1A1
SCHEMBL13366861 0.76 ACACB (0.38) KMT2ATHRBACACBACACAALDH1A1
SCHEMBL30204267 0.76 ACACB (0.40) KMT2ATHRBACACBACACAALDH1A1

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
WO-2015040406-A2 AGRICULTURAL CHEMICALS REDX PHARMA LIMITED (GB) 2015-03-26 WO disclosed