SCHEMBL7309225

SCHEMBL7309225

CCCCCCN(C)C(=O)CCCOc1cc(C(C)=O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.47
THRA P10827 5/20 0.47
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
VCAM1 P19320 2/20 0.41
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 2/20 0.38

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
SCHEMBL7312076 0.85 THRB (0.45) THRBTHRABCHEACHEVCAM1
SCHEMBL7317566 0.85 THRB (0.44) THRBTHRABCHEACHEVCAM1
SCHEMBL7321082 0.76 THRA (0.47) THRBTHRABCHEACHE
SCHEMBL7316866 0.74 ALDH1A1 (0.39) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL11613382 0.73 THRB (0.51) THRBTHRA
SCHEMBL10074635 0.72 HTT (0.52) THRBTHRANPC1SMN1; SMN2
SCHEMBL7312365 0.71 THRA (0.46) THRBTHRABCHEACHEEPHX2
SCHEMBL10374823 0.71 BCHE (0.47) THRBTHRABCHEACHE
SCHEMBL7316914 0.71 THRA (0.46) THRBTHRABCHEACHE
SCHEMBL16083524 0.70 HTT (0.53) NPC1TSHRRAB9ASMN1; SMN2

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