SCHEMBL7306674

SCHEMBL7306674

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 1/20 0.39
ERN1 O75460 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7317337 0.99 PTGDR2 (0.47) PTGDR2ALDH1A1MAPTHPGDHTT
SCHEMBL7321378 0.96 PTGDR2 (0.47) PTGDR2ALDH1A1MAPTHPGDHTT
SCHEMBL7310010 0.95 PTGDR2 (0.46) PTGDR2ALDH1A1MAPTHPGDHTT
Hydrochloric Acid SCHEMBL7318544 0.95 PTGDR2 (0.46) PTGDR2ALDH1A1MAPTHPGDHTT
Hydrochloric Acid SCHEMBL7310832 0.94 PTGDR2 (0.45) PTGDR2ALDH1A1MAPTHPGDHTT
SCHEMBL7317330 0.88 ALDH1A1 (0.46) PTGDR2ALDH1A1MAPTHPGDHTT
SCHEMBL7318533 0.85 ALDH1A1 (0.45) PTGDR2ALDH1A1MAPTHPGDHTT
SCHEMBL7319321 0.84 MAPT (0.49) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL7310824 0.84 ALDH1A1 (0.44) PTGDR2ALDH1A1MAPTHPGDHTT
SCHEMBL10374659 0.83 LMNA (0.46) PTGDR2ALDH1A1MAPTHPGDHTT

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