SCHEMBL10692989

SCHEMBL10692989

CCCCCCCCCCCCS(=O)(=O)c1cccc(C(=O)O)c1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
EPHX2 P34913 1/20 0.46
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL8982627 0.87 CA12 (0.61) CA12CA9EPHX2THRBALDH1A1
SCHEMBL23748711 0.84 CA12 (0.51) CA12CA9EPHX2THRB
SCHEMBL9619019 0.83 CA12 (0.50) CA12CA9EPHX2THRB
SCHEMBL7784111 0.82 CA12 (0.52) CA12CA9EPHX2
SCHEMBL3260176 0.80 EPHX2 (0.51) EPHX2THRBALDH1A1
SCHEMBL12472341 0.80 CA12 (0.61) CA12CA9EPHX2KDM4EALDH1A1
SCHEMBL8666072 0.80 CA12 (0.47) CA12CA9EPHX2THRB
SCHEMBL8982596 0.77 EPHX2 (0.48) CA12CA9EPHX2THRBKDM4E
SCHEMBL11693045 0.75 EPHX2 (0.66) CA12CA9EPHX2THRBALDH1A1
SCHEMBL3348471 0.75 CA12 (0.50) CA12CA9EPHX2THRBKDM4E

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-0262810-A2 Sheet recording material containing dye-forming components Fuji Photo Film Co., Ltd. (JP) 1988-04-06 EP disclosed