SCHEMBL11318804

SCHEMBL11318804

CCCCCCC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
FFAR1 O14842 1/20 0.44
HTT P42858 2/20 0.43
TTR P02766 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PAK1 Q13153 1/20 0.40
HSD17B3 P37058 5/20 0.39
GPR35 Q9HC97 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL11291777 0.82 ESR1 (0.46) ESR1PLA2G2APLA2G5FFAR1HTT
SCHEMBL15535075 0.80 PLA2G2A (0.51) PLA2G2APLA2G5FFAR1HTTTHRA
SCHEMBL10355851 0.80 PLA2G2A (0.51) PLA2G2APLA2G5FFAR1HTTTHRA
SCHEMBL11803127 0.79 TTR (0.48) HTTTTRMEN1KMT2ALMNA
SCHEMBL10355740 0.79 AKR1C2 (0.51) ESR1PLA2G2APLA2G5FFAR1HTT
SCHEMBL11292052 0.78 PLA2G2A (0.49) PLA2G2APLA2G5FFAR1HTTTHRA
Hydrochloric Acid SCHEMBL11293609 0.77 PLA2G2A (0.48) PLA2G2APLA2G5FFAR1HTTTHRA
SCHEMBL17804319 0.76 L3MBTL1 (0.41) TTRTDP1GPR35
SCHEMBL11298360 0.76 HTT (0.48) PLA2G2APLA2G5FFAR1HTTTHRB
SCHEMBL31563703 0.75 TTR (0.50) HTTTTRMEN1KMT2ALMNA

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
EP-0065874-A1 2-Aminophenol derivatives, methods for their preparation and composition containing the same ONO PHARMACEUTICAL CO., LTD. (JP) 1982-12-01 EP disclosed