SCHEMBL8003575

SCHEMBL8003575

Nc1cc2ccccc2cc1C(=O)O.Nc1cccc2ccc(O)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.66
PTPN1 P18031 4/20 0.49
GFER P55789 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
LDHA P00338 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP2 O95551 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL987747 0.81 IDO1 (0.67) IDO1PTPN1GFERNR4A1NR4A2
SCHEMBL7996107 0.81 IDO1 (0.68) IDO1LDHANR4A1NR4A2NR4A3
SCHEMBL29792935 0.81 F2 (0.58) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL197490 0.81 IDO1 (1.00) IDO1PTPN1GFERNR4A1NR4A2
SCHEMBL8001257 0.81 F2 (0.58) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL208278 0.81 F2 (0.58) TRPV1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8006518 0.81 IDO1 (1.00) IDO1PTPN1GFERNR4A1NR4A2
SCHEMBL29475880 0.81 IDO1 (1.00) IDO1PTPN1GFERNR4A1NR4A2
3-Aminophenol SCHEMBL7991041 0.81 IDO1 (0.72) IDO1PTPN1GFERMEN1KMT2A
SCHEMBL8001663 0.79 IDO1 (0.70) IDO1GFERLDHANR4A1NR4A2

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed