SCHEMBL5628828

SCHEMBL5628828

CO/C(C)=C(/C(=O)O)c1ccccc1COc1nc(C(F)(F)C(F)F)sc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.35
RXFP1 Q9HBX9 1/20 0.32
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 2/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5628878 0.83 HIF1A (0.40) OPRL1SYK
SCHEMBL5627792 0.83 OPRL1 (0.32) OPRL1SYK
SCHEMBL5628871 0.83 HIF1A (0.40) OPRL1SYK
SCHEMBL5627797 0.83 OPRL1 (0.32) OPRL1SYK
SCHEMBL5741744 0.77 MEN1 (0.50) MAPT
SCHEMBL5742298 0.77 KMT2A (0.51) SMN1; SMN2RAB9AHSD17B10NPSR1MAPT
SCHEMBL5743962 0.75 ALDH1A1 (0.47) SMN1; SMN2MAPT
SCHEMBL5629225 0.74 TP53 (0.32) OPRL1SYKTP53HTTMAPT
SCHEMBL5629230 0.74 TP53 (0.32) OPRL1SYKTP53HTTMAPT
SCHEMBL5626872 0.73 HIF1A (0.44) OPRL1SYK

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
US-7166620-B2 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2007-01-23 US claimed