SCHEMBL9364456

SCHEMBL9364456

CSC(=O)Cc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
GAA P10253 4/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7010851 0.81 PTGS1 (0.41) PTGS1AKR1C3AKR1C2TDP1NR1H4
SCHEMBL11275952 0.78 GAA (0.68) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL7632086 0.74 CA2 (0.56) PTGS1KDM4ELMNAHIF1AHSD17B10
SCHEMBL24476689 0.71 CTBP2 (0.51) NFKB1KDM4ELMNAMAPTBLM
SCHEMBL6349150 0.71 TRPA1 (0.64) AKR1C3AKR1C2POLBALOX5LCK
SCHEMBL18904521 0.70 EPHX2 (0.41) PTGS1AKR1C3AKR1C2GAATSHR
SCHEMBL10174346 0.70 HPGD (0.49) GAATDP1LMNAPOLBMAPT
SCHEMBL24164778 0.69 HTT (0.59) KDM4ELMNAPOLBMAPTALDH1A1
SCHEMBL8847943 0.69 NPC1 (0.55) PTGS1KDM4ELMNAHPGDHIF1A
SCHEMBL9364458 0.69 PTGS1 (0.42) PTGS1AKR1C3AKR1C2GAATSHR

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-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed