SCHEMBL7225203

SCHEMBL7225203

CN1C(=O)N(CCC(CSc2ccc(-c3ccccc3)cc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.57
MMP9 P14780 11/20 0.57
MMP3 P08254 7/20 0.57
MMP13 P45452 5/20 0.57
PLA2G7 Q13093 2/20 0.43
MMP1 P03956 5/20 0.42
MMP8 P22894 1/20 0.41
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL7223468 0.89 MMP2 (0.69) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7392933 0.88 MMP2 (0.45) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL6788599 0.81 MMP2 (0.47) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7224275 0.80 MMP2 (0.54) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7232717 0.78 MMP2 (0.59) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7080614 0.77 MMP2 (0.42) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7224457 0.76 MMP3 (0.46) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL7231531 0.74 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL4820309 0.72 PLA2G7 (0.46) MMP2MMP9MMP3MMP13PLA2G7
SCHEMBL4820321 0.72 PLA2G7 (0.46) MMP2MMP9MMP3MMP13PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed