SCHEMBL8337828

SCHEMBL8337828

O=C(O)CC[C@@H]1CCCC(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.57
MMP13 P45452 1/20 0.48
TRPV1 Q8NER1 1/20 0.42
PTGES O14684 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
GCGR P47871 4/20 0.39
ABL1 P00519 1/20 0.39
USP30 Q70CQ3 1/20 0.39
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FASN P49327 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
GIPR P48546 2/20 0.38

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
SCHEMBL6873269 1.00 MMP12 (0.57) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL6873265 1.00 MMP12 (0.57) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL6532657 0.92 MMP12 (0.58) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL6885140 0.92 MMP12 (0.58) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL8342675 0.92 MMP12 (0.58) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL6882759 0.91 MMP12 (0.53) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL6882754 0.91 MMP12 (0.53) MMP12MMP13TRPV1PTGESCHRM2
SCHEMBL6530340 0.91 MMP12 (0.63) MMP12MMP13TRPV1CHRM2CHRM1
SCHEMBL6882944 0.91 MMP12 (0.63) MMP12MMP13TRPV1CHRM2CHRM1
SCHEMBL6875032 0.86 MMP12 (0.54) MMP12MMP13TRPV1PTGESABL1

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
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed