SCHEMBL7320164

SCHEMBL7320164

O=Cc1cc(OCCCC(=O)NC2CNCCO2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
BACE1 P56817 2/20 0.35
ALDH1A1 P00352 3/20 0.35
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
P2RY12 Q9H244 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
REN P00797 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7319186 0.97 HPGD (0.36) HPGDSIRT5BACE1ALDH1A1RAB9A
SCHEMBL7317910 0.86 MAPT (0.37) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7316032 0.84 SIRT3 (0.41) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7310463 0.82 SIRT3 (0.39) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10377207 0.81 LMNA (0.40) SIRT5BACE1ALDH1A1PDE3BPDE3A
SCHEMBL10377206 0.78 ALDH1A1 (0.38) HPGDSIRT5BACE1ALDH1A1PDE3B
SCHEMBL7320149 0.76 ALDH1A1 (0.35) HPGDSIRT5BACE1ALDH1A1RAB9A
SCHEMBL7320153 0.76 RAB9A (0.48) HPGDALDH1A1PDE3BPDE3AP2RY12
SCHEMBL7311801 0.75 SMN1; SMN2 (0.41) SIRT5BACE1ALDH1A1RAB9AKDM4E
SCHEMBL7320429 0.74 KDM4E (0.45) HPGDSIRT5BACE1ALDH1A1PDE3B

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