SCHEMBL7317330

SCHEMBL7317330

O=Cc1cccc(OCCCC(=O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 4/20 0.43
HTT P42858 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
ERN1 O75460 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAD52 P43351 1/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.35
MAPK1 P28482 2/20 0.34
S1PR4 O95977 1/20 0.34
ITGA4 P13612 1/20 0.34
S1PR1 P21453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7318533 0.96 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7310824 0.95 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7306674 0.88 PTGDR2 (0.48) ALDH1A1MAPTSMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7317337 0.87 PTGDR2 (0.47) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7321378 0.85 PTGDR2 (0.47) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7310010 0.84 PTGDR2 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7318544 0.84 PTGDR2 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7319321 0.83 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7310832 0.82 PTGDR2 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7310264 0.80 TSHR (0.37) ALDH1A1MAPTSMN1; SMN2HTTERN1

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed