SCHEMBL7307953

SCHEMBL7307953

CC(=O)c1c(OCCCC(=O)N(CCCCCCO)C2CCCCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.42
PDE3A Q14432 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CASP6 P55212 1/20 0.33
PDE2A O00408 1/20 0.33
P2RY12 Q9H244 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL10374564 0.94 PDE3B (0.40) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL7311657 0.91 L3MBTL1 (0.39) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL7311982 0.87 PDE3B (0.43) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL7319397 0.86 CASP6 (0.38) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL7311776 0.84 PDE3B (0.48) PDE3BPDE3AKDM4ECYP2C19ALDH1A1
SCHEMBL10374992 0.81 PDE3B (0.39) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL10375053 0.81 THRA (0.40) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL7320491 0.80 L3MBTL1 (0.38) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB
SCHEMBL7310755 0.80 THRA (0.39) PDE3BPDE3AKDM4ECYP2D6CYP2C19
SCHEMBL10375733 0.80 PDE3B (0.39) PDE3BPDE3AL3MBTL1SMN1; SMN2POLB

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