SCHEMBL7989581

SCHEMBL7989581

CCOC(=O)Cc1cc2c(s1)CC1CCC2N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA1 P30542 1/20 0.34
PREP P48147 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.32
GPR65 Q8IYL9 3/20 0.32
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP13 P45452 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
SCHEMBL7986925 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3ADORA1PREP
SCHEMBL7975124 0.84 POLB (0.35) CHRM1GPR65
SCHEMBL7988257 0.78 RAB9A (0.35) L3MBTL1CHRM1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7993429 0.72 CHRM2 (0.36) L3MBTL1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL7989746 0.72 SMN1; SMN2 (0.39) CHRM2CHRM1CHRM3SMN1; SMN2PREP
SCHEMBL23265112 0.68 CHRM1 (0.43) L3MBTL1CHRM2CHRM1CHRM3PREP
SCHEMBL25712554 0.68 CHRM1 (0.43) L3MBTL1CHRM2CHRM1CHRM3PREP
SCHEMBL30405603 0.68 CHRM1 (0.51) L3MBTL1CHRM2CHRM1CHRM3PREP
SCHEMBL22332119 0.67 ATM (0.48) CHRM2CHRM1CHRM3SMN1; SMN2ADORA1
SCHEMBL22837942 0.67 ATM (0.48) CHRM2CHRM1CHRM3SMN1; SMN2ADORA1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed