SCHEMBL9767700

SCHEMBL9767700

CC1(OOC2(c3ccccc3)OC(=O)c3ccccc32)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.57
CYP2C9 P11712 5/20 0.57
CYP2C19 P33261 5/20 0.57
CYP3A4 P08684 4/20 0.57
RECQL P46063 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.52
CYP1A2 P05177 2/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.45
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
LMNA P02545 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL10745566 0.75 SMN1; SMN2 (0.69) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL336932 0.75 SMN1; SMN2 (0.61) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL9767713 0.74 NPSR1 (0.49) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL9767707 0.72 NPSR1 (0.53) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL3887315 0.72 SMN1; SMN2 (1.00) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL1550971 0.71 NPSR1 (0.76) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL11753756 0.71 SMN1; SMN2 (0.62) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL6427482 0.67 SIGMAR1 (0.56) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL11932064 0.67 CFTR (0.61) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL11138146 0.66 SMN1; SMN2 (0.49) NPSR1CYP2C9CYP2C19CYP3A4RECQL

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
JP-3006246-A None JP disclosed
JP-H036246-A CROSSLINKING AGENT FOR POLYMER NIPPON OIL & FATS CO LTD 1991-01-11 JP disclosed