SCHEMBL7312352

SCHEMBL7312352

O=Cc1c([N+](=O)[O-])ccc(OCCCC(=O)O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 9/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 5/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TSHR P16473 1/20 0.38
S1PR4 O95977 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 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 SCHEMBL7314696 0.99 RAB9A (0.39) RAB9AFFAR4ALDH1A1MAPTGAA
SCHEMBL7316510 0.96 ALDH1A1 (0.39) RAB9AFFAR4ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL7317393 0.95 PRSS1 (0.40) RAB9AFFAR4ALDH1A1MAPTGAA
SCHEMBL7314687 0.90 ALDH1A1 (0.38) RAB9AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7317383 0.86 ALDH1A1 (0.39) RAB9AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7317738 0.86 MEN1 (0.49) ALDH1A1MAPTKMT2AMEN1CYP2C9
SCHEMBL7307134 0.85 FFAR1 (0.39) FFAR4ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7307111 0.85 TSHR (0.44) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL7306270 0.85 MAPT (0.43) RAB9AALDH1A1MAPTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL7317958 0.85 MEN1 (0.48) ALDH1A1MAPTKMT2AMEN1CYP2C9

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