SCHEMBL9767707

SCHEMBL9767707

CC1CCC2CC1(OOC1(c3ccccc3)OC(=O)c3ccccc31)C2(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.53
CYP2C9 P11712 5/20 0.53
CYP2C19 P33261 5/20 0.53
CYP3A4 P08684 4/20 0.53
RECQL P46063 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.40
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
LMNA P02545 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL9767700 0.72 NPSR1 (0.57) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL9767713 0.72 NPSR1 (0.49) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL10745566 0.69 SMN1; SMN2 (0.69) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL336932 0.69 SMN1; SMN2 (0.61) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL3887315 0.66 SMN1; SMN2 (1.00) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL29867855 0.66 GAA (0.43) GAAMEN1KMT2ATDP1LMNA
SCHEMBL1550971 0.65 NPSR1 (0.76) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL11753756 0.65 SMN1; SMN2 (0.62) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL11932064 0.61 CFTR (0.61) NPSR1CYP2C9CYP2C19CYP3A4RECQL
SCHEMBL11138146 0.60 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2117012-A None JP disclosed
JP-3006246-A None JP disclosed
JP-H036246-A CROSSLINKING AGENT FOR POLYMER NIPPON OIL & FATS CO LTD 1991-01-11 JP disclosed
JP-H02117012-A BRIDGING POLYOLEFIN INSULATING POWER CABLE FURUKAWA ELECTRIC CO LTD:THE 1990-05-01 JP disclosed