SCHEMBL7950544

SCHEMBL7950544

CC(C)(C)OC(=O)N1C[C@@H](CO)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
HCRTR2 O43614 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.33
NAMPT P43490 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL24658818 1.00 NR1H2 (0.43) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL21757745 0.88 NR1H2 (0.37) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL2354523 0.87 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL18990533 0.87 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL2349092 0.87 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL2349096 0.87 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL12767483 0.84 NR1H2 (0.35) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL22298828 0.81 SPHK1 (0.33) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL26532045 0.80 USP2 (0.38) NR1H2HCRTR2USP2SMN1; SMN2RECQL
SCHEMBL24092268 0.80 USP2 (0.38) NR1H2HCRTR2USP2SMN1; SMN2RECQL

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-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed