SCHEMBL7307134

SCHEMBL7307134

O=Cc1c([N+](=O)[O-])ccc(OCCCC(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 5/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRSS1 P07477 3/20 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 SCHEMBL7307724 0.99 FFAR1 (0.39) FFAR1FFAR4ALDH1A1KDM4ETSHR
SCHEMBL7307717 0.89 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1MAPTHTT
SCHEMBL7312352 0.85 RAB9A (0.40) FFAR4ALDH1A1KDM4ETSHRMAPT
SCHEMBL7307111 0.85 TSHR (0.44) ALDH1A1KDM4ETSHRMAPTHTT
SCHEMBL7307583 0.85 MAPT (0.43) ALDH1A1KDM4ENPC1MAPTHTT
Hydrochloric Acid SCHEMBL7314696 0.84 RAB9A (0.39) FFAR4ALDH1A1KDM4ETSHRMAPT
Hydrochloric Acid SCHEMBL7312045 0.84 TSHR (0.43) ALDH1A1KDM4ETSHRMAPTHTT
SCHEMBL7319027 0.84 FFAR4 (0.46) FFAR1FFAR4NPC1LMNAHPGD
SCHEMBL7313337 0.83 BCHE (0.40) ALDH1A1KDM4ETSHRNPC1MAPT
Hydrochloric Acid SCHEMBL7315798 0.82 FFAR4 (0.46) FFAR1FFAR4NPC1LMNAHPGD

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