SCHEMBL9846399

SCHEMBL9846399

COC=C(C(=O)O)c1ccccc1CSC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
GPR139 Q6DWJ6 1/20 0.35
KAT6A Q92794 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CXCL8 P10145 1/20 0.33
THPO P40225 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
SCHEMBL9846352 0.87 CYP1A2 (0.39) GPR139ALDH1A1MAPTMEN1KMT2A
SCHEMBL9846354 0.87 CYP1A2 (0.39) GPR139ALDH1A1MAPTMEN1KMT2A
SCHEMBL9846414 0.79 NPC1 (0.41) SMN1; SMN2ALDH1A1MAPTRECQLMAPK1
SCHEMBL9846362 0.79 CYP1A2 (0.51) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9846355 0.79 CYP1A2 (0.38) PTGS1PTGS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9846361 0.79 CYP1A2 (0.38) PTGS1PTGS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9846415 0.79 NPC1 (0.41) SMN1; SMN2ALDH1A1MAPTRECQLMAPK1
SCHEMBL9846358 0.79 CYP1A2 (0.51) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9846353 0.77 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHIF1A
SCHEMBL9846356 0.77 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHIF1A

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-0416746-A2 Fungicides containing an alkoxycarbonylvinyl group or an alkyloxyimino group AGREVO UK LIMITED (GB) 1991-03-13 EP disclosed