SCHEMBL8493598

SCHEMBL8493598

CC(C)CC1(C2CC2C(=O)O)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 0.38
MMP2 P08253 8/20 0.35
MMP13 P45452 5/20 0.35
ADAM17 P78536 5/20 0.35
ADAMTS4 O75173 3/20 0.33
MMP12 P39900 3/20 0.33
MMP3 P08254 2/20 0.33
MMP14 P50281 2/20 0.33
MMP8 P22894 2/20 0.33
MMP9 P14780 1/20 0.33
ADAMTS7 Q9UKP4 1/20 0.32
MMP1 P03956 1/20 0.32

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 0.89 ADAMTS5 (0.35) ADAMTS5MMP2MMP13ADAM17ADAMTS4
SCHEMBL8490968 0.87 MMP9 (0.34) ADAMTS5MMP2MMP13ADAM17ADAMTS4
SCHEMBL8495085 0.84 ADAMTS5 (0.34) ADAMTS5MMP2ADAM17ADAMTS7
SCHEMBL8491013 0.84 ADAMTS7 (0.34) ADAMTS5MMP2MMP13ADAMTS4MMP12
SCHEMBL8524338 0.82 TDP1 (0.35) ADAMTS5MMP2ADAMTS7
SCHEMBL8491656 0.81 ADAMTS5 (0.40) ADAMTS5MMP2MMP13ADAM17ADAMTS7
SCHEMBL8490895 0.81 ADAMTS5 (0.40) ADAMTS5MMP2MMP13ADAM17ADAMTS7
SCHEMBL8491658 0.81 ADAMTS5 (0.40) ADAMTS5MMP2MMP13ADAM17ADAMTS7
SCHEMBL8497135 0.81 ADAMTS5 (0.40) ADAMTS5MMP2MMP13ADAM17ADAMTS7
SCHEMBL8497338 0.81 MMP2 (0.36) ADAMTS5MMP2MMP13MMP3MMP8

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