SCHEMBL774564

SCHEMBL774564

O=C(N[C@@H]1CCC[C@H]1NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.59
MMP7 P09237 1/20 0.59
MMP9 P14780 1/20 0.59
MMP13 P45452 1/20 0.59
SSTR3 P32745 4/20 0.57
F10 P00742 3/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.53
GRM5 P41594 1/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL775118 0.96 SSTR3 (0.61) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL106877 0.92 NPC1 (0.56) SSTR3NPC1RAB9AMEN1KMT2A
SCHEMBL1757228 0.89 MMP2 (0.54) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL16489793 0.89 MMP2 (0.54) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL29168840 0.88 MMP2 (0.52) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL28037674 0.88 MMP2 (0.52) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL5032040 0.85 SSTR3 (0.52) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL7348189 0.85 NPSR1 (0.58) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL8803719 0.85 SSTR3 (0.52) MMP2MMP7MMP9MMP13SSTR3
SCHEMBL7348191 0.85 NPSR1 (0.58) MMP2MMP7MMP9MMP13SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed