SCHEMBL7311982

SCHEMBL7311982

O=Cc1c(OCCCC(=O)N(CCCCCCO)C2CCCCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.43
PDE3A Q14432 7/20 0.43
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL10374992 0.95 PDE3B (0.39) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL10375053 0.92 THRA (0.40) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL7320491 0.90 L3MBTL1 (0.38) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL7320624 0.89 L3MBTL1 (0.37) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL10376587 0.88 L3MBTL1 (0.39) KDM4EL3MBTL1SMN1; SMN2POLBCYP2D6
SCHEMBL10375748 0.88 L3MBTL1 (0.41) KDM4EL3MBTL1SMN1; SMN2POLBCYP2D6
SCHEMBL7307953 0.87 PDE3B (0.42) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL10377014 0.85 SMN1; SMN2 (0.39) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL10754694 0.84 PDE3B (0.46) PDE3BPDE3AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL10374861 0.83 L3MBTL1 (0.37) PDE3BPDE3AKDM4EL3MBTL1SMN1; 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