SCHEMBL7174696

SCHEMBL7174696

CCCCOc1ccc(NC(C(=O)NC(Cc2ccccc2)C(=O)N2CCOCC2)C(O)C(=O)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
TACR2 P21452 9/20 0.43
REN P00797 2/20 0.42
CTSS P25774 1/20 0.42
MMP12 P39900 1/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL7172621 0.98 MMP8 (0.46) MMP8KDM4EALDH1A1LMNANPC1
SCHEMBL7177458 0.89 MMP8 (0.52) MMP8KDM4EALDH1A1TACR2CTSS
SCHEMBL7185090 0.87 MMP8 (0.55) MMP8ALDH1A1TACR2RENCTSS
SCHEMBL7177453 0.84 MMP3 (0.55) MMP8
SCHEMBL7172650 0.83 NPC1 (0.47) KDM4EALDH1A1LMNANPC1
SCHEMBL7170036 0.82 MMP2 (0.57) MMP8
SCHEMBL7178370 0.81 PPARG (0.46) KDM4EALDH1A1LMNANPC1
SCHEMBL7174719 0.81 NPC1 (0.45) KDM4EALDH1A1LMNANPC1
SCHEMBL7178527 0.79 NPC1 (0.43) KDM4EALDH1A1LMNANPC1
SCHEMBL7178513 0.79 MMP1 (0.44) MMP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576628-B1 Matrix metalloprotease inhibitors; arthritis, corneal ulcers, arteriosclerosis ROCHE DIAGNOSTICS GMBH (DE) 2003-06-10 US disclosed
EP-1005449-B1 3-ARYL-SUCCINAMIDO-HYDROXAMIC ACIDS, METHODS FOR PRODUCING SAID ACIDS AND MEDICAMENTS CONTAINING THE SAME ROCHE DIAGNOSTICS GMBH (DE) 2002-10-30 EP disclosed
EP-0897908-A1 3-Aryl-succinamido-hydroxamic acids, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-02-24 EP disclosed