SCHEMBL5675876

SCHEMBL5675876

O=C(NC1(C(=O)O)CCCCC1)N1CCSCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
FABP4 P15090 3/20 0.32
FABP5 Q01469 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN7 P35236 1/20 0.31
ALPG P10696 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
SCHEMBL1842710 0.90 CTSB (0.38) CTSBCTSSCTSKKDM4EALDH1A1
SCHEMBL1840796 0.86 CTSB (0.47) CTSBCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL1840770 0.86 CTSB (0.47) CTSBCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL5675372 0.80 EPHX2 (0.47) CTSBCTSSCTSKKDM4EALDH1A1
SCHEMBL5677871 0.80 EPHX2 (0.47) CTSBCTSSCTSKALDH1A1
SCHEMBL5674323 0.80 EPHX2 (0.47) CTSBCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL1486257 0.80 CYP2C9 (0.45) CTSBCTSSCTSKHPGDSMN1; SMN2
SCHEMBL5674238 0.78 CYP1A2 (0.48) CTSBCTSSCTSKALDH1A1HSD17B10
SCHEMBL5674494 0.76 CTSK (0.40) CTSBCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL7533918 0.76 CTSB (0.40) CTSBCTSSCTSKKDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed
EP-1619189-A1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU CORPORATION (JP) 2006-01-25 EP disclosed
EP-1616867-A1 Hydroxycarboxylic acid derivatives SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed
EP-1008592-A2 Cyclic amide derivatives which inhibit cathepsin K Fujirebio Kabushiki Kaisha (JP) 2000-06-14 EP disclosed