SCHEMBL7676286

SCHEMBL7676286

C=CCc1c(C)ccc(C(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
HAAO P46952 1/20 0.39
HMGB1 P09429 1/20 0.38
CXCL12 P48061 1/20 0.38
RXRA P19793 2/20 0.37
GRM1 Q13255 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL788899 0.90 SELL (0.45) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL2925754 0.83 SELL (0.52) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL9867697 0.83 CA12 (0.39) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL299374 0.81 SELL (0.41) KDM4EHSD17B10GAATSHRSMN1; SMN2
SCHEMBL2374014 0.80 HPGD (0.42) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL7412901 0.80 MMP2 (0.44) KDM4EHSD17B10ALDH1A1GAATSHR
SCHEMBL10741043 0.80 ERN1 (0.42) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL8316943 0.80 GABRA1 (0.39) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6526829 0.79 SELL (0.52) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL2581660 0.79 KDM4E (0.50) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP claimed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
EP-0231139-A2 Dihydrobenzofurane and chromane carboxamide derivatives, processes for their preparation and their use as neuroleptics Laboratoires DELAGRANGE (FR) 1987-08-05 EP disclosed