SCHEMBL8490968

SCHEMBL8490968

CC(C)CCCC1(C2CC2C(=O)O)NC(=O)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.34
ADAMTS5 Q9UNA0 17/20 0.34
MMP2 P08253 11/20 0.32
MMP13 P45452 4/20 0.31
MMP14 P50281 3/20 0.31
ADAMTS4 O75173 2/20 0.31
MMP3 P08254 2/20 0.31
MMP12 P39900 2/20 0.31
MMP8 P22894 1/20 0.31
ADAM17 P78536 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
SCHEMBL8494209 0.92 ADAMTS5 (0.35) MMP9ADAMTS5MMP2MMP13MMP14
SCHEMBL8493598 0.87 ADAMTS5 (0.38) MMP9ADAMTS5MMP2MMP13MMP14
SCHEMBL8524338 0.85 TDP1 (0.35) ADAMTS5MMP2
SCHEMBL8497338 0.84 MMP2 (0.36) MMP9ADAMTS5MMP2MMP13MMP3
SCHEMBL8495204 0.83 MMP2 (0.38) MMP9MMP2MMP13MMP3MMP8
SCHEMBL8494662 0.83 ADAMTS5 (0.39) ADAMTS5MMP2
SCHEMBL8495085 0.82 ADAMTS5 (0.34) ADAMTS5MMP2ADAM17
SCHEMBL8491013 0.79 ADAMTS7 (0.34) MMP9ADAMTS5MMP2MMP13MMP14
SCHEMBL8496566 0.78 GRM2 (0.41) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL8491377 0.78 ADAMTS5 (0.40) ADAMTS5MMP2ADAM17

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-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed