SCHEMBL11291145

SCHEMBL11291145

CCCCCC(=O)c1cc(C(C)(C)C)cc(N)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
FFAR1 O14842 1/20 0.44
HSD17B3 P37058 6/20 0.40
CA2 P00918 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PAK1 Q13153 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL11294355 0.99 PLA2G2A (0.47) HTTNR5A2NR5A1PLA2G2APLA2G5
Hydrochloric Acid SCHEMBL11288203 0.97 PLA2G2A (0.46) HTTNR5A2NR5A1PLA2G2APLA2G5
SCHEMBL11288335 0.96 NR5A2 (0.46) HTTNR5A2NR5A1PLA2G2APLA2G5
SCHEMBL11289849 0.90 ALDH1A1 (0.45) HTTNR5A2NR5A1HSD17B3MEN1
SCHEMBL5335689 0.84 NR5A2 (0.63) HTTNR5A2NR5A1PLA2G2APLA2G5
SCHEMBL11293235 0.84 CYP1A2 (0.40) NR5A2NR5A1MEN1KMT2AALDH1A1
SCHEMBL11286999 0.83 TSHR (0.41) NR5A2NR5A1CA2MEN1KMT2A
SCHEMBL10322111 0.83 MEN1 (0.41) NR5A2NR5A1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11295054 0.83 CYP1A2 (0.39) NR5A2NR5A1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11289618 0.82 NR5A2 (0.40) NR5A2NR5A1MEN1KMT2AALDH1A1

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