SCHEMBL27558459

SCHEMBL27558459

CC(=O)C(=O)Nc1c[nH]c(C)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
HTT P42858 1/20 0.40
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRB P23467 1/20 0.36
PTPRE P23469 1/20 0.36
PTPN6 P29350 1/20 0.36
GPR35 Q9HC97 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6310639 0.88 NOTUM (0.53) NOTUMHTTPTPRCPTPN2PTPN1
SCHEMBL6312422 0.83 NOTUM (0.49) NOTUMHTTPTPRCPTPN2PTPN1
SCHEMBL1082810 0.69 NOTUM (1.00) NOTUMHTTGPR35SMN1; SMN2MAPT
SCHEMBL2804501 0.67 NOTUM (0.65) NOTUMHTTSMN1; SMN2
SCHEMBL31748649 0.64 NOTUM (0.73) NOTUMHTTSMN1; SMN2MAPT
SCHEMBL9200628 0.62 HTT (0.54) HTTSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6573412 0.62 NOTUM (0.57) NOTUMHTTSMN1; SMN2
SCHEMBL891077 0.61 NOTUM (0.68) NOTUMHTTSMN1; SMN2MAPTNPC1
SCHEMBL23207628 0.60 NR4A2 (0.54) MAPT
SCHEMBL8444559 0.60 GPR35 (0.37) NOTUMGPR35NPC1RAB9A

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
CN-1300279-A Modulators of protein tyrosine phosphatases NOVO NORDISK AS (DK) 2001-06-20 CN disclosed