SCHEMBL7986925

SCHEMBL7986925

CC(C)(C)OC(=O)N1C2CCC1c1cc(CC(=O)O)sc1C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PREP P48147 4/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34
ABCB1 P08183 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
ADORA1 P30542 1/20 0.31
JAK1 P23458 1/20 0.31
GPR65 Q8IYL9 1/20 0.31
RET P07949 1/20 0.31
KDM4E B2RXH2 2/20 0.30
PKM P14618 1/20 0.30
ATM Q13315 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL7975124 0.88 POLB (0.35) CHRM1POLBGPR65
SCHEMBL7989581 0.87 L3MBTL1 (0.36) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL7985658 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL7989148 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL23245598 0.69 CHRM2 (0.56) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL8223477 0.69 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30041034 0.69 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL18186312 0.68 NR1H2 (0.48) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL24616413 0.68 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL521435 0.68 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1

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