SCHEMBL7376206

SCHEMBL7376206

CC(C)(C)OC(=O)C(C(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
ATM Q13315 1/20 0.49
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
ACE P12821 1/20 0.48
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
KLK5 Q9Y337 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL7376208 1.00 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL15015724 0.89 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL7280316 0.89 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL12268042 0.86 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL5703280 0.86 ITGA4 (0.43) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL15268441 0.85 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL7813695 0.85 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL11382563 0.83 MEN1 (0.53) ATMITGA4ITGB7ACECTSS
SCHEMBL20805059 0.83 ITGA4 (0.49) SLC1A3SLC1A2SLC1A1ATMITGA4
SCHEMBL27471453 0.82 ACE (0.47) SLC1A3SLC1A2SLC1A1ATMITGA4

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
EP-0912545-A1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997026257-A1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-07-24 WO disclosed