SCHEMBL8714823

SCHEMBL8714823

CC(C)(C)OC(=O)CC1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR1H2 P55055 1/20 0.37
LIPA P38571 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MIF P14174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL1932287 0.92 NR1H2 (0.41) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL1001602 0.85 NR1H2 (0.37) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL1001604 0.85 NR1H2 (0.37) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL15014108 0.85 NR1H2 (0.37) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL24571070 0.85 NR1H2 (0.40) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL23223892 0.85 NR1H2 (0.40) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL5792781 0.85 NR1H2 (0.47) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL5792776 0.85 NR1H2 (0.47) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL13152774 0.85 THRA (0.44) CHRM2CHRM1CHRM3NR1H2LIPA
SCHEMBL1931945 0.84 ALDH1A1 (0.42) CHRM2CHRM1CHRM3NR1H2CTSS

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
CN-1131418-A Novel fused-ring carboxylic acid compound or salt thereof, and medicinal use thereof GREEN CROSS CORP (JP) 1996-09-18 CN disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed