SCHEMBL9771663

SCHEMBL9771663

Nc1ccc(CC(O)CO)c([N+](=O)[O-])c1NCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
MAPT P10636 2/20 0.33
ADRB2 P07550 4/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
ADRB1 P08588 3/20 0.30
ADRB3 P13945 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9771652 0.79 GLA (0.36) GLAMAPTADRB2ALDH1A1LMNA
SCHEMBL10581409 0.76 SLC2A1 (0.35) GLAMAPTALDH1A1HPGDLMNA
SCHEMBL8412603 0.70 KMT2A (0.41) MAPTALDH1A1MEN1KMT2A
SCHEMBL2878100 0.70 GRM8 (0.32) GLAALDH1A1LMNA
SCHEMBL9771631 0.69 GLA (0.44) GLAMAPTADRB2ALDH1A1ADRB1
SCHEMBL3666022 0.69 GPR35 (0.43) GLAALDH1A1MEN1KMT2A
SCHEMBL8799644 0.68 GLA (0.38) GLAMAPTADRB2ALDH1A1MEN1
SCHEMBL6414085 0.68 MAPT (0.42) GLAMAPTADRB2ALDH1A1HPGD
SCHEMBL10860894 0.68 ALDH1A1 (0.39) MAPTALDH1A1HPGDLMNAMEN1
SCHEMBL6001727 0.67 MAPT (0.54) GLAMAPTALDH1A1HPGDMEN1

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-4992586-A Dehalogenation of a halonitrobenzene compound L'OREAL (FR) 1991-02-12 US disclosed