SCHEMBL9047787

SCHEMBL9047787

[CH2]CCCc1c(C(=O)O)cccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
CA2 P00918 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MYC P01106 1/20 0.35
RBP4 P02753 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NFKB1 P19838 1/20 0.34
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.33
NOTUM Q6P988 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
SCHEMBL9047730 0.88 CA2 (0.35) ALDH1A1KDM4EMRGPRX4CA2GABRA1
SCHEMBL28680684 0.86 CA12 (0.41) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9046662 0.82 CA2 (0.41) ALDH1A1CA2GABRA1GABRB2TSHR
SCHEMBL9045316 0.81 HPGD (0.50) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16418617 0.79 ALOX15 (0.43) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9047115 0.78 CLCN2 (0.45) ALDH1A1KDM4EHPGDHSD17B10MRGPRX4
SCHEMBL319241 0.78 ALOX15 (0.42) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2207015 0.78 ALOX15 (0.42) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9044072 0.77 GABRA1 (0.46) ALDH1A1KDM4ECA2GABRA1GABRB2
SCHEMBL9046401 0.76 TSHR (0.50) ALOX15ALDH1A1KDM4EHPGDHSD17B10

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
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed