SCHEMBL5165317

SCHEMBL5165317

C=C(C)C(=O)NC(C)P(=O)(O)OCC.CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
GAA P10253 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5163030 0.95 TGFBR1 (0.39) TGFBR1GAAMMP1MMP2MMP3
SCHEMBL976101 0.73 TGFBR1 (0.42) TGFBR1MMP1MMP2MMP3CA12
SCHEMBL28965466 0.69 CA12 (0.41) TGFBR1MMP1MMP2CA12CA1
SCHEMBL980288 0.69 TDP1 (0.39) GAATSHR
SCHEMBL976256 0.68 TGFBR1 (0.39) TGFBR1MMP1MMP2TSHRCA12
SCHEMBL1409013 0.68 TGFBR1 (0.43) TGFBR1MMP1MMP2MMP3CA12
SCHEMBL28963627 0.68 LPAR3 (0.45) TGFBR1MMP1MMP2MMP3TSHR
SCHEMBL8847175 0.68 TGFBR1 (0.40) TGFBR1MMP1MMP2MMP3CA12
SCHEMBL5697275 0.68 TSHR (0.39) TSHR
SCHEMBL184419 0.68 NPSR1 (0.37) TGFBR1GAATSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802510-A1 MONOETHYLENICALLY UNSATURATED MONOMERS AND USES THEREOF Bostik SA (FR) 2021-04-14 EP claimed
EP-1765895-A1 SYNTHESIS OF COPOLYMERS IN THE FORM OF A MIKTO STAR BY CONTROLLED RADICAL POLYMERIZATION RHODIA CHIMIE (FR) 2007-03-28 EP claimed
WO-2005116097-A1 SYNTHESIS OF COPOLYMERS IN THE FORM OF A MIKTO STAR BY CONTROLLED RADICAL POLYMERIZATION RHODIA CHIMIE (FR) 2005-12-08 WO claimed