SCHEMBL11835239

SCHEMBL11835239

O=C(O)C(=O)Nc1cccc(NC(=O)C(=O)O)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.64
LPAR2 Q9HBW0 1/20 0.56
LPAR3 Q9UBY5 1/20 0.56
PTPN1 P18031 9/20 0.53
PTPN2 P17706 4/20 0.53
PTPRC P08575 3/20 0.53
PTPRB P23467 3/20 0.53
PTPRE P23469 3/20 0.53
PTPN6 P29350 3/20 0.53
PTPRF P10586 2/20 0.49
PTPRA P18433 1/20 0.46
PTPN11 Q06124 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL7988900 0.88 GPR35 (0.56) GPR35LPAR2LPAR3PTPN1PTPN2
SCHEMBL7974559 0.87 KDM4E (0.57) GPR35LPAR2LPAR3PTPN1PTPN2
SCHEMBL7988973 0.87 GPR35 (0.65) GPR35LPAR2LPAR3PTPN1PTPN2
SCHEMBL7988047 0.82 GPR35 (0.46) GPR35LPAR2LPAR3PTPN1PTPN2
SCHEMBL5697299 0.81 GPR35 (0.68) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL7984836 0.79 NPC1 (0.50) GPR35NPC1RAB9A
SCHEMBL11395900 0.78 GPR35 (1.00) GPR35PTPN1PTPN2PTPRFPTPRA
SCHEMBL7988976 0.78 GPR35 (0.42) GPR35LPAR2LPAR3PTPN1PTPN2
SCHEMBL4315667 0.77 PTPN1 (0.64) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL30583240 0.77 PTPN1 (0.64) GPR35PTPN1PTPN2PTPRCPTPRB

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-3962308-A Process for converting esters to amine salts THE UPJOHN COMPANY (US) 1976-06-08 US disclosed