SCHEMBL23977989

SCHEMBL23977989

CCC/C=C(\C(=O)NC)c1cccc(C)c1CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
CXCR5 P32302 6/20 0.33
F2R P25116 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 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 0.85 KDM4E (0.33) KDM4EGAACXCR5F2RCYP3A4
SCHEMBL23969498 0.85 CYP3A4 (0.38) KDM4EGAACXCR5F2RCYP3A4
SCHEMBL23965579 0.84 CYP3A4 (0.36) KDM4EGAACXCR5F2RCYP3A4
SCHEMBL23965618 0.84 CYP3A4 (0.33) KDM4EGAACXCR5F2RCYP3A4
SCHEMBL23967941 0.81 CXCR5 (0.44) KDM4ECXCR5HSD17B10MAPT
SCHEMBL23965678 0.80
SCHEMBL23965716 0.80 GAA (0.40) KDM4EGAAF2RCYP3A4CYP2D6
SCHEMBL23978129 0.78 CYP1A2 (0.33) CXCR5CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL23965622 0.75 HPGD (0.36) KDM4ECYP3A4KMT2ASMN1; SMN2ERCC5
SCHEMBL23978149 0.74 CXCR5 (0.37) KDM4EGAACXCR5ALDH1A1HPGD

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