SCHEMBL7311336

SCHEMBL7311336

CC(O)c1cc(OCCCCCC(=O)NN2CCCC3CCCCC32)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.36
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 1/20 0.36
NLRP1 Q9C000 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 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
SCHEMBL7345715 0.87 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7309468 0.85 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7319891 0.82 KDM4E (0.37) SIRT3ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL7314458 0.78 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7320170 0.76 KMT2A (0.37) SIRT3ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL7316430 0.74 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10377113 0.74 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2KDM4ECYP2D6
SCHEMBL10377030 0.74 KDM4E (0.37) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10374780 0.74 KDM4E (0.39) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10376749 0.74 KDM4E (0.39) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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