SCHEMBL9010277

SCHEMBL9010277

CC(C)C[C@@H](C(=O)OC(C)(C)C)C(Cc1ccccc1)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.45
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
SYK P43405 1/20 0.40
CTSB P07858 1/20 0.40
PSMB5 P28074 1/20 0.40
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7408810 0.88 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL8604140 0.83 CTSK (0.46) CTSKCTSSCTSLPOLBGAA
SCHEMBL8097897 0.82 CTSS (0.41) CTSKCTSSCTSLPOLBSYK
SCHEMBL9326544 0.81 CTSK (0.42) CTSKCTSSCTSLPOLBGAA
SCHEMBL7405615 0.81 RAB9A (0.42) CTSKPOLBGAASYKMAPT
SCHEMBL7405620 0.81 RAB9A (0.42) CTSKPOLBGAASYKMAPT
SCHEMBL9329333 0.80 CTSB (0.43) CTSKCTSSCTSLPOLBGAA
SCHEMBL9326476 0.79 MAPT (0.43) CTSKPOLBGAASYKCTSB
SCHEMBL9326520 0.78 CTSK (0.39) CTSKCTSSCTSLPOLBGAA
SCHEMBL9326565 0.78 CTSK (0.39) CTSKCTSSCTSLPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530161-A TREATING RHEUMATOID ARTHRITIS, PROMOTING WOUND HEALING BRITISH BIO-TECHNOLOGY LIMITED (GB) 1996-06-25 US disclosed
US-5310763-A Wound healing, rheumatoid arthritis BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-10 US disclosed
EP-0446267-B1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS BRITISH BIO TECHNOLOGY (GB) 1994-04-13 EP disclosed
EP-0445206-B1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS BRITISH BIO TECHNOLOGY (GB) 1994-03-16 EP disclosed
US-5240958-A HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-31 US disclosed