SCHEMBL9058113

SCHEMBL9058113

O=C(O)c1cc2c(c(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.39
ENPP1 P22413 5/20 0.39
ENPP2 Q13822 4/20 0.35
HSD11B1 P28845 2/20 0.34
HSD17B3 P37058 1/20 0.34
ACLY P53396 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
CNR1 P21554 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
P2RY14 Q15391 1/20 0.33
SRD5A2 P31213 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
SCHEMBL9062688 0.92 MAPT (0.35) ENPP3ENPP1CNR1SRD5A2
SCHEMBL9058011 0.84 ALKBH2 (0.37) ALKBH2ALKBH3FTOCNR1
SCHEMBL9058390 0.84 TAS2R14 (0.39) ACLYCNR1KEAP1NFE2L2TRPM8
SCHEMBL9063431 0.84 MEN1 (0.40) HSD11B1SRD5A2
SCHEMBL9062931 0.83 PTPN1 (0.39) ACLYCNR1
SCHEMBL9062465 0.82 ALDH1A1 (0.50)
SCHEMBL9054762 0.80 CNR2 (0.36) CNR1TBXA2R
SCHEMBL9063667 0.79 GAA (0.39) ENPP2CNR1
SCHEMBL9057622 0.78 CYP1A2 (0.42) ALKBH2ALKBH3CNR1
SCHEMBL9057824 0.78 CNR1 (0.37) CNR1SRD5A2

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
WO-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed