SCHEMBL7310331

SCHEMBL7310331

CC(O)c1ccc(OCCCCCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 4/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7306695 0.89 PDE3B (0.47) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7317244 0.85 PDE3B (0.41) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7316869 0.85 MAOB (0.49) PKML3MBTL1NPC1RAB9APDE3B
SCHEMBL7317460 0.84 KMT2A (0.46) NPC1RAB9AALDH1A1POLBPDE3B
SCHEMBL7318596 0.84 NPC1 (0.43) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL10374643 0.84 NPC1 (0.43) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL10375855 0.82 NPC1 (0.43) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL10374758 0.81 NPC1 (0.44) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7313188 0.80 LMNA (0.52) PKML3MBTL1NPC1RAB9AALDH1A1
SCHEMBL10377086 0.80 PDE3B (0.46) PKML3MBTL1NPC1RAB9AALDH1A1

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