SCHEMBL6867976

SCHEMBL6867976

CC(=O)O[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.67
MMP13 P45452 1/20 0.50
EPHX2 P34913 10/20 0.46
FAAH O00519 6/20 0.46
ABL1 P00519 1/20 0.44
CYP2D6 P10635 1/20 0.42
RAF1 P04049 1/20 0.42
AADAC P22760 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL6454253 0.91 MMP12 (0.62) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6531648 0.90 MMP12 (0.65) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6532143 0.89 MMP12 (0.58) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6452240 0.86 MMP12 (0.60) MMP12MMP13EPHX2ABL1CYP2D6
SCHEMBL6530795 0.84 MMP12 (0.58) MMP12MMP13EPHX2ABL1CYP2D6
SCHEMBL6879366 0.82 MMP12 (0.64) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6525522 0.82 MMP12 (0.64) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6874089 0.82 MMP12 (0.57) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6874086 0.82 MMP12 (0.57) MMP12MMP13EPHX2FAAHABL1
SCHEMBL6879557 0.82 MMP12 (0.58) MMP12MMP13EPHX2FAAHABL1

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
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed