SCHEMBL7307867

SCHEMBL7307867

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
FBP1 P09467 2/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
MCL1 Q07820 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL7309678 0.96 THRB (0.34) MAPTALDH1A1TSHRFBP1THRB
SCHEMBL7318223 0.90 MCL1 (0.39) MAPTALDH1A1TSHRRAB9AMCL1
Hydrochloric Acid SCHEMBL7307876 0.89 PDK2 (0.38) MAPTALDH1A1TSHRRAB9AMCL1
SCHEMBL7317632 0.86 MAPT (0.34) MAPTALDH1A1FBP1LMNANPC1
SCHEMBL7310233 0.86 PDK2 (0.40) MCL1S1PR1S1PR3
SCHEMBL7318379 0.86 ALDH1A1 (0.37) MAPTALDH1A1TSHRFBP1ENPP2
Hydrochloric Acid SCHEMBL7309684 0.85 PDK2 (0.39) THRBMCL1S1PR1S1PR3
SCHEMBL7313997 0.85 FBP1 (0.41) MAPTALDH1A1TSHRFBP1LMNA
SCHEMBL7305457 0.82 MCL1 (0.36) MAPTALDH1A1TSHRTHRBNPC1
SCHEMBL7314738 0.82 FBP1 (0.40) MAPTALDH1A1TSHRFBP1THRB

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