SCHEMBL7312987

SCHEMBL7312987

CC(O)c1c(OCCCCCC(C(N)=O)C2NCCc3ccccc32)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PRCP P42785 2/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SIRT3 Q9NTG7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 2/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC4 O15439 1/20 0.31
CACNA1F O60840 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 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
SCHEMBL7318581 0.88 L3MBTL1 (0.41) L3MBTL1PRCPALDH1A1KDM4ESMN1; SMN2
SCHEMBL7310181 0.86 L3MBTL1 (0.39) L3MBTL1PRCPALDH1A1KDM4ESMN1; SMN2
SCHEMBL7312977 0.80 SIRT3 (0.43) L3MBTL1ALDH1A1KDM4ESIRT3SMN1; SMN2
SCHEMBL7308548 0.77 SIRT3 (0.39) PRCPALDH1A1KDM4ESIRT3OPRM1
SCHEMBL7320392 0.73 PRCP (0.36) PRCPALDH1A1KDM4ESIRT3OPRM1
SCHEMBL7308468 0.69 PDE3B (0.34) PDE3A
SCHEMBL7321178 0.69 PDE3B (0.36) CYP2D6LMNACYP1A2PDE3A
SCHEMBL7318574 0.67 MEN1 (0.41) L3MBTL1ALDH1A1KDM4ESIRT3SMN1; SMN2
SCHEMBL3235313 0.67 PRCP (0.51) PRCPALDH1A1SMN1; SMN2OPRM1MEN1
SCHEMBL7317245 0.65 PDE3B (0.44) L3MBTL1ALDH1A1KDM4ECYP2D6CYP2C19

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