SCHEMBL8001663

SCHEMBL8001663

Nc1cc2ccccc2cc1C(=O)O.Nc1ccc2ccccc2c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.70
LDHA P00338 1/20 0.58
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.48
GPR35 Q9HC97 1/20 0.48
WDR5 P61964 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 2/20 0.45
KMT2A Q03164 2/20 0.45
MCL1 Q07820 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL8006518 0.83 IDO1 (1.00) IDO1HPGDALDH1A1POLBGPR35
SCHEMBL197490 0.83 IDO1 (1.00) IDO1HPGDALDH1A1POLBGPR35
SCHEMBL29475880 0.83 IDO1 (1.00) IDO1HPGDALDH1A1POLBGPR35
SCHEMBL8003432 0.82 IDO1 (0.70) IDO1LDHAHPGDALDH1A1LMNA
SCHEMBL8003535 0.80 PTPN22 (0.60) IDO1LDHAHPGDALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL588687 0.80 PTPN22 (0.60) IDO1LDHAHPGDALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL29399146 0.80 PTPN22 (0.60) IDO1LDHAHPGDALDH1A1CYP2D6
SCHEMBL144495 0.80 PTPN22 (0.60) IDO1LDHAHPGDALDH1A1CYP2D6
SCHEMBL30168079 0.80 PTPN22 (0.60) IDO1LDHAHPGDALDH1A1CYP2D6
SCHEMBL8003575 0.79 IDO1 (0.66) IDO1LDHAHPGDALDH1A1POLB

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