SCHEMBL6943142

SCHEMBL6943142

CCOC(=O)C1(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
MMP13 P45452 4/20 0.49
MMP14 P50281 3/20 0.49
FPR2 P25090 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
ADAM10 O14672 4/20 0.45
MMP2 P08253 2/20 0.45
MMP12 P39900 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6946980 0.88 MMP13 (0.52) HRH3MMP13MMP14FPR2PROKR1
SCHEMBL6943119 0.88 MMP13 (0.52) HRH3MMP13MMP14FPR2PROKR1
SCHEMBL6943318 0.85 ADAM10 (0.59) MMP13MMP14ADAM10MMP2
SCHEMBL6947588 0.81 MMP13 (0.49) HRH3MMP13MMP14FPR2PROKR1
SCHEMBL6954248 0.80 MMP13 (0.47) HRH3MMP13MMP14FPR2PROKR1
SCHEMBL6950104 0.79 MMP13 (0.47) HRH3MMP13MMP14FPR2PROKR1
SCHEMBL6036011 0.76 MMP13 (0.55) MMP13MMP14FPR2PROKR1ADAM10
SCHEMBL6948792 0.75 MMP13 (0.56) HRH3MMP13MMP14FPR2PROKR1
SCHEMBL6035783 0.73 MMP13 (0.58) MMP13MMP14FPR2PROKR1MMP2
SCHEMBL6950652 0.73 MMP2 (0.58) MMP13MMP14ADAM10MMP2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP claimed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US claimed
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed