SCHEMBL7317898

SCHEMBL7317898

CC(=O)c1cc(OCCCC(=O)NN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7309450 0.97 MAPT (0.52) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7318455 0.91 KDM4E (0.47) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7307157 0.90 KDM4E (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7316021 0.85 ALDH1A1 (0.49) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7320153 0.84 RAB9A (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7310467 0.82 ALDH1A1 (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7319188 0.81 ALDH1A1 (0.47) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7314876 0.78 MAOB (0.44) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL7317910 0.76 MAPT (0.37) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7318303 0.76 KDM4E (0.47) MAPTSMN1; SMN2KDM4ENPC1RAB9A

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