SCHEMBL23967970

SCHEMBL23967970

CCC/C=C(\C(=O)OC)c1cccc(C)c1CO/N=C(\C)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL23969524 0.91 S1PR1 (0.37) S1PR1PPARGPPARAMAPTLMNA
SCHEMBL23978133 0.91 HPGD (0.39) S1PR1PPARGPPARALMNARAB9A
SCHEMBL23965598 0.91 MAPT (0.37) S1PR1PPARGPPARAMAPTLMNA
SCHEMBL23965635 0.87 KDM4E (0.35) PPARGPPARAMAPTPKMRAB9A
SCHEMBL23965585 0.86 GAA (0.41) PPARGPPARAMAPTLMNARAB9A
SCHEMBL23978207 0.85 SMN1; SMN2 (0.38) PPARGPPARAPKMLMNARAB9A
SCHEMBL23965663 0.83 MEN1 (0.40) PPARGPPARAMAPTKDM4EALDH1A1
SCHEMBL23965641 0.81
SCHEMBL23965592 0.81
SCHEMBL23971828 0.81 HIF1A (0.49) S1PR1PPARGPPARAMAPTPKM

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