SCHEMBL23969524

SCHEMBL23969524

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23978133 0.92 HPGD (0.39) S1PR1RAB9ANPC1L3MBTL1HPGD
SCHEMBL23967970 0.91 S1PR1 (0.41) S1PR1RAB9ANPC1HPGDLMNA
SCHEMBL23965598 0.91 MAPT (0.37) S1PR1RAB9ANPC1L3MBTL1HPGD
SCHEMBL23965635 0.88 KDM4E (0.35) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL23978124 0.87 RAB9A (0.32) RAB9ANPC1L3MBTL1LMNAMAPT
SCHEMBL23965585 0.87 GAA (0.41) RAB9ANPC1L3MBTL1HPGDLMNA
SCHEMBL23965597 0.86 PPARG (0.37) S1PR1RAB9ANPC1PPARGPPARA
SCHEMBL23969511 0.86 S1PR1 (0.40) S1PR1RAB9ANPC1L3MBTL1HPGD
SCHEMBL23978207 0.86 SMN1; SMN2 (0.38) RAB9ANPC1LMNAALDH1A1TDP1
SCHEMBL23971867 0.83 HIF1A (0.46) S1PR1RAB9ANPC1L3MBTL1HPGD

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 2 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-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