SCHEMBL7318364

SCHEMBL7318364

CCN(C)C(=O)CCCOc1ccc([N+](=O)[O-])c(C(C)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
PRSS1 P07477 3/20 0.32
SRD5A2 P31213 1/20 0.32

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
SCHEMBL7310810 0.83 THRA (0.40) THRATHRBBCHEACHEL3MBTL1
SCHEMBL7313337 0.82 BCHE (0.40) THRATHRBBCHEACHEL3MBTL1
SCHEMBL7316914 0.79 THRA (0.46) THRATHRBBCHEACHEL3MBTL1
SCHEMBL7319695 0.73 ALDH1A1 (0.46) THRATHRBBCHEACHEL3MBTL1
SCHEMBL7307955 0.70 L3MBTL1 (0.43) THRATHRBBCHEACHEL3MBTL1
SCHEMBL7316157 0.69 PDE3B (0.40) ALDH1A1KDM4EHPGDTSHR
SCHEMBL10377089 0.69 SIRT5 (0.43) BCHEACHEALDH1A1KDM4EHPGD
SCHEMBL7309552 0.69 THRA (0.41) THRATHRBL3MBTL1ALDH1A1KDM4E
SCHEMBL7320520 0.68 PDE3B (0.47) ALDH1A1KDM4EHPGDTSHR
SCHEMBL14334111 0.68 PDK1 (0.43) ACHEL3MBTL1ALDH1A1GAATSHR

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