SCHEMBL7315760

SCHEMBL7315760

O=Cc1ccc(Cl)c(OCCCCCCC(=O)NN2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 2/20 0.33
ATF4 P18848 1/20 0.32
HRH3 Q9Y5N1 5/20 0.32
LIPE Q05469 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
UBE2N P61088 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7313090 0.85 CNR1 (0.42) CNR1CNR2KMT2AATF4TRPV1
SCHEMBL7320203 0.84 CNR1 (0.42) CNR1CNR2KMT2AATF4HRH3
SCHEMBL7319123 0.80 HPGD (0.39) KMT2AMAPTSMN1; SMN2
SCHEMBL7317613 0.80 PTPN7 (0.32) MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7317619 0.79 HPGD (0.39) KMT2AMAPTSMN1; SMN2
SCHEMBL7315758 0.79 SLC6A2 (0.33) HRH3
SCHEMBL7311758 0.77 CNR2 (0.42) CNR1CNR2KMT2AMAPTSMN1; SMN2
SCHEMBL7318877 0.77 PTPN7 (0.33) KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7314929 0.77 FFAR4 (0.38) KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7318884 0.76 FFAR4 (0.37) KMT2AMAPTSMN1; SMN2

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