SCHEMBL7954072

SCHEMBL7954072

CCCCCCCC(OP(O)O)c1ccc(C)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
PDE5A O76074 1/20 0.33
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28975264 0.90 PDE5A (0.36) CNR1CNR2PDE5ATP53CYP2D6
SCHEMBL7157828 0.88 HDAC3 (0.33) CNR1CNR2CYP2C9CYP2C19GAA
SCHEMBL2895920 0.88 HDAC3 (0.33) CNR1CNR2CYP2C9CYP2C19GAA
SCHEMBL20604058 0.88 HDAC3 (0.33) CNR1CNR2CYP2C9CYP2C19GAA
SCHEMBL7159714 0.88 HDAC3 (0.33) CNR1CNR2CYP2C9CYP2C19GAA
SCHEMBL4595231 0.83 PRSS1 (0.35)
SCHEMBL17328900 0.83 PRSS1 (0.35)
SCHEMBL28350375 0.78 GAA (0.35) CNR1CNR2PDE5ATP53CYP2D6
SCHEMBL2918854 0.77 GHSR (0.33) CNR1CNR2CYP2C9CYP2C19GAA
SCHEMBL8061271 0.75 ALOX5 (0.34) TP53CYP2D6CYP2C9ALOX15CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed