SCHEMBL23978149

SCHEMBL23978149

CCC/C=C(\C(C)=O)c1cccc(C)c1CCCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 6/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GPR52 Q9Y2T5 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30

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
SCHEMBL23965593 0.88 KDM4E (0.33) CXCR5GPR52KDM4EGAAALDH1A1
SCHEMBL23965618 0.76 CYP3A4 (0.33) CXCR5GPR52KDM4EGAAALDH1A1
SCHEMBL23965678 0.74
SCHEMBL23977989 0.74 KDM4E (0.34) CXCR5KDM4EGAAALDH1A1HPGD
SCHEMBL23965579 0.74 CYP3A4 (0.36) CXCR5KDM4EGAAALDH1A1HPGD
SCHEMBL23965654 0.72 GAA (0.40) CYP4F2CYP4A11KDM4EGAAALDH1A1
SCHEMBL23967941 0.71 CXCR5 (0.44) CXCR5KDM4EHSD17B10
SCHEMBL23965591 0.71 CXCR5 (0.38) CXCR5GPR52HPGD
SCHEMBL28638059 0.70 CXCR5 (0.47) CXCR5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9865191 0.69 KDM4E (0.46) CYP4F2CYP4A11KDM4EALDH1A1

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-3903581-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS I BASF SE (DE) 2021-11-03 EP disclosed