SCHEMBL7316610

SCHEMBL7316610

O=Cc1c(OCCCCCCC(=O)N(CCCCCCO)c2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RECQL P46063 2/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7307106 0.85 L3MBTL1 (0.42) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL10758202 0.84 MAPT (0.41) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL10754794 0.84 MAPT (0.41) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL7315213 0.84 L3MBTL1 (0.43) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL10374669 0.84 L3MBTL1 (0.45) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL10377228 0.84 L3MBTL1 (0.45) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL10374908 0.83 L3MBTL1 (0.42) BCHEACHEKDM4EL3MBTL1MAPT
SCHEMBL10756382 0.80 MAPT (0.40) KDM4EL3MBTL1MAPTALDH1A1NPC1
SCHEMBL7304281 0.80 NPC1 (0.46) KDM4EL3MBTL1MAPTALDH1A1NPC1
SCHEMBL10374681 0.79 THRA (0.43) KDM4EL3MBTL1MAPTALDH1A1NPC1

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