SCHEMBL7308548

SCHEMBL7308548

CC(O)c1cc(OCCC(C(N)=O)C2NCCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.39
PRCP P42785 2/20 0.38
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
TBXA2R P21731 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
SCHEMBL7320392 0.88 PRCP (0.36) SIRT3PRCPALDH1A1MAPTOPRM1
SCHEMBL7311807 0.86 PRCP (0.34) PRCPALDH1A1MAPTOPRM1OPRK1
SCHEMBL7308539 0.79 SIRT3 (0.52) SIRT3PRCPALDH1A1MAPTOPRM1
SCHEMBL7316010 0.76 ALDH1A1 (0.36) ALDH1A1MAPTOPRK1MEN1KMT2A
SCHEMBL7309718 0.74 ALDH1A1 (0.38) SIRT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL7318581 0.73 L3MBTL1 (0.41) PRCPALDH1A1OPRM1OPRK1KDM4E
SCHEMBL7311157 0.73 ATM (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7310181 0.71 L3MBTL1 (0.39) PRCPALDH1A1MAPTOPRM1KDM4E
SCHEMBL10375774 0.71 PDE3B (0.59)
SCHEMBL7318298 0.71 KDM4E (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E

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