SCHEMBL8632328

SCHEMBL8632328

O=C(O)c1ccc(O)c(Cl)c1C(=O)O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
CLCN2 P51788 1/20 0.42
ALDH1A1 P00352 6/20 0.42
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
TSHR P16473 3/20 0.42
PTGS2 P35354 2/20 0.42
DPP4 P27487 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 2/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HMGB1 P09429 1/20 0.40

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
SCHEMBL28338058 0.82 CA2 (0.54) CA1CA2SELLSELPCLCN2
SCHEMBL10770972 0.82 TSHR (0.52) CA1CA2SELLSELPALDH1A1
SCHEMBL8770284 0.81 TSHR (0.52) CLCN2ALDH1A1TSHRDPP4CYP1A2
SCHEMBL529328 0.80 SELL (0.54) CA1CA2SELLSELPCLCN2
SCHEMBL1501383 0.78 CYP1A2 (0.44) CA1CA2SELLSELPCLCN2
SCHEMBL5232322 0.78 DPP4 (0.61) CA1CA2SELLSELPCLCN2
SCHEMBL2649879 0.78 SELL (0.64) CA1CA2SELLSELPCLCN2
SCHEMBL29684882 0.78 TSHR (0.54) CA1CA2CLCN2ALDH1A1TSHR
SCHEMBL1472395 0.78 TSHR (0.54) CA1CA2CLCN2ALDH1A1TSHR
SCHEMBL29941520 0.78 SELL (0.64) CA1CA2SELLSELPCLCN2

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
US-5804346-A Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 1998-09-08 US disclosed
EP-0801330-A1 Electrophotographic photoreceptor Mitsubishi Chemical Corporation (JP) 1997-10-15 EP disclosed