SCHEMBL9118976

SCHEMBL9118976

Nc1ccc(O)cc1C(=O)Oc1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALOX15 P16050 2/20 0.50
USP2 O75604 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 2/20 0.48
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
TYR P14679 1/20 0.40
HDAC1 Q13547 1/20 0.39
MAOB P27338 2/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL9118973 0.80 USP2 (0.62) GAAALOX15USP2RAD51NPSR1
SCHEMBL17008380 0.76 MAOA (0.61) GAAALOX15USP2RAD51NPSR1
SCHEMBL8220010 0.75 KMT2A (0.51) GAAALOX15MEN1KMT2AESR1
SCHEMBL30557666 0.74 PDGFRB (0.65) MAOAMEN1KMT2AESR1ESR2
SCHEMBL30557692 0.74 MAOA (0.50) MAOAMEN1KMT2AESR1ESR2
SCHEMBL1834224 0.73 MAOA (0.61) GAAALOX15USP2RAD51NPSR1
SCHEMBL8602640 0.72 KMT2A (0.64) MAOAMEN1KMT2ANPC1PDGFRB
SCHEMBL272553 0.71 MAOA (0.64) GAAALOX15USP2RAD51NPSR1
SCHEMBL29783647 0.71 MAOA (0.60) GAAALOX15USP2RAD51NPSR1
SCHEMBL30621292 0.71 MAOA (0.59) GAAALOX15USP2RAD51NPSR1

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
WO-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed