SCHEMBL23967941

SCHEMBL23967941

CCCC/C=C(\C(=O)NC)c1cccc(C)c1CCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.44
PPARA Q07869 1/20 0.35
BID P55957 5/20 0.34
BCL2L1 Q07817 5/20 0.34
MCL1 Q07820 5/20 0.34
BAK1 Q16611 5/20 0.34
MMP2 P08253 2/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
PLK1 P53350 2/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ECE1 P42892 1/20 0.34
SGMS1 Q86VZ5 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
MUS81 Q96NY9 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SAE1 Q9UBE0 1/20 0.34

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
SCHEMBL23977989 0.81 KDM4E (0.34) CXCR5KDM4EMAPTHSD17B10
SCHEMBL23969498 0.77 CYP3A4 (0.38) CXCR5KDM4EHSD17B10TSHR
SCHEMBL5609674 0.74 CXCR5 (0.54) CXCR5PPARABIDBCL2L1MCL1
Ammonia Solution, Strong SCHEMBL7716827 0.73 CXCR5 (0.53) CXCR5PPARABIDBCL2L1MCL1
Ammonia Solution, Strong SCHEMBL7716826 0.73 CXCR5 (0.53) CXCR5PPARABIDBCL2L1MCL1
SCHEMBL6013408 0.73 LMNA (0.51) CXCR5PPARABIDBCL2L1MCL1
SCHEMBL2228895 0.73 CXCR5 (0.53) CXCR5PLK1TSHR
SCHEMBL8025730 0.72 CXCR5 (0.52) CXCR5PPARAKDM4EMAPTHSD17B10
SCHEMBL6013405 0.71 CXCR5 (0.51) CXCR5PPARABIDBCL2L1MCL1
SCHEMBL23978149 0.71 CXCR5 (0.37) CXCR5KDM4EHSD17B10

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-3903584-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 IV BASF SE (DE) 2021-11-03 EP disclosed