SCHEMBL7308480

SCHEMBL7308480

O=Cc1cc(OCC(=O)O)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
CLK1 P49759 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN7 P35236 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
Hydrochloric Acid SCHEMBL7318385 0.99 MCL1 (0.40) MCL1PTGDR2ALDH1A1TSHRKMT2A
SCHEMBL7318379 0.89 ALDH1A1 (0.37) ALDH1A1TSHRMAPTPTPN7
SCHEMBL7318223 0.86 MCL1 (0.39) MCL1ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL7307876 0.85 PDK2 (0.38) MCL1ALDH1A1TSHRMAPT
SCHEMBL7310233 0.85 PDK2 (0.40) MCL1
SCHEMBL7318661 0.84 PTGDR2 (0.39) PTGDR2ALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7309684 0.84 PDK2 (0.39) MCL1THRB
SCHEMBL7316071 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL7307867 0.81 MAPT (0.34) MCL1ALDH1A1TSHRMAPTTHRB
SCHEMBL7309678 0.80 THRB (0.34) MCL1ALDH1A1TSHRMAPTTHRA

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