SCHEMBL23965633

SCHEMBL23965633

CCC/C=C(\C(=O)NC)c1cccc(C)c1CO/N=C(/c1ccccc1)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 5/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARA Q07869 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
SCHEMBL23978124 0.83 RAB9A (0.32) SMN1; SMN2KMT2APPARGCYP1A2CYP3A4
SCHEMBL23965712 0.83 NPC1 (0.33) SMN1; SMN2KMT2APPARGTSHRALDH1A1
SCHEMBL23965575 0.82 PPARG (0.43) PPARGPPARA
SCHEMBL23971874 0.81 HIF1A (0.37) SMN1; SMN2KMT2APPARGALDH1A1NPC1
SCHEMBL23978129 0.80 CYP1A2 (0.33) SMN1; SMN2KMT2ACYP1A2CYP3A4TSHR
SCHEMBL23965580 0.80 GAA (0.41) SMN1; SMN2KMT2APPARGCYP1A2CYP3A4
SCHEMBL23965583 0.79 GAA (0.35) KMT2APPARGALDH1A1NPC1RAB9A
SCHEMBL23965586 0.79 MAPT (0.37) SMN1; SMN2KMT2APPARGCYP1A2CYP3A4
SCHEMBL23965582 0.78
SCHEMBL23965627 0.76 HIF1A (0.34) SMN1; SMN2KMT2APPARGALDH1A1NPC1

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-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
EP-3903583-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 III BASF SE (DE) 2021-11-03 EP disclosed
EP-3903582-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 II BASF SE (DE) 2021-11-03 EP disclosed
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