SCHEMBL8624003

SCHEMBL8624003

CC(C)CC(C(=O)OC(C)(C)C)C(OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 3/20 0.42
CTSB P07858 2/20 0.42
CTSL P07711 2/20 0.42
SYK P43405 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8624004 1.00 CTSK (0.44) CTSKPOLBGAAMAPTXBP1
SCHEMBL4633702 0.86 CTSK (0.47) CTSKPOLBGAAMAPTXBP1
SCHEMBL5497072 0.86 CTSK (0.47) CTSKPOLBGAAMAPTXBP1
SCHEMBL7418023 0.86 CTSK (0.47) CTSKPOLBGAAMAPTXBP1
SCHEMBL8622116 0.85 SLC1A3 (0.50) CTSKCTSSCTSBCTSLSLC1A3
SCHEMBL8622114 0.85 SLC1A3 (0.50) CTSKCTSSCTSBCTSLSLC1A3
SCHEMBL9327711 0.84 CTSK (0.48) CTSKPOLBGAAMAPTXBP1
SCHEMBL7331165 0.84 POLB (0.46) CTSKPOLBGAAMAPTXBP1
SCHEMBL6622988 0.84 POLB (0.46) CTSKPOLBGAAMAPTXBP1
SCHEMBL5187344 0.83 CTSK (0.47) CTSKPOLBGAAMAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712838-B1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD (JP) 1998-11-04 EP disclosed
US-5795891-A RHEUMATOID ARTHRITIS, OSTEOPOROSIS, HYPERCALCEMIA KANEBO LTD. (JP) 1998-08-18 US disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed