SCHEMBL6530795

SCHEMBL6530795

O=C(NC1CC[CH]CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.58
MMP13 P45452 2/20 0.54
ABL1 P00519 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
USP30 Q70CQ3 1/20 0.43
EPHX1 P07099 2/20 0.42
EPHX2 P34913 2/20 0.42
DRD4 P21917 2/20 0.42
HTR2A P28223 2/20 0.42
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD2 P14416 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HPGDS O60760 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 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
SCHEMBL6454253 0.93 MMP12 (0.62) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6452240 0.91 MMP12 (0.60) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6531640 0.89 MMP12 (0.55) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6867976 0.84 MMP12 (0.67) MMP12MMP13ABL1TRPV1EPHX2
SCHEMBL6879366 0.84 MMP12 (0.64) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6525522 0.84 MMP12 (0.64) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6530340 0.83 MMP12 (0.63) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6882944 0.83 MMP12 (0.63) MMP12MMP13ABL1TRPV1USP30
SCHEMBL8342799 0.83 MMP12 (0.59) MMP12MMP13ABL1TRPV1USP30
SCHEMBL6531648 0.83 MMP12 (0.65) MMP12MMP13ABL1EPHX2CYP2D6

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-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO claimed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP claimed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
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