SCHEMBL17636271

SCHEMBL17636271

C=CC(=O)NCCCCCCOP(=O)(O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
TGM2 P21980 3/20 0.40
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PLA2G2A P14555 4/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
LPAR1 Q92633 3/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL16562005 0.92 ZDHHC20 (0.46) ZDHHC20ZDHHC2TGM2LPAR3LPAR2
SCHEMBL16562009 0.92 ZDHHC20 (0.46) ZDHHC20ZDHHC2TGM2LPAR3LPAR2
SCHEMBL907527 0.84 LPAR3 (0.54) ZDHHC20ZDHHC2TGM2LPAR3LPAR2
SCHEMBL16353959 0.84 ZDHHC20 (0.49) ZDHHC20ZDHHC2TGM2LPAR3LPAR2
SCHEMBL24359827 0.83 LPAR3 (0.51) ZDHHC20ZDHHC2TGM2LPAR3LPAR2
SCHEMBL14996294 0.82 ZDHHC20 (0.65) ZDHHC20ZDHHC2TGM2ALDH1A1TSHR
SCHEMBL22906226 0.81 CA12 (0.42) LPAR3LPAR2CA12CA1CA2
SCHEMBL13750053 0.81 EPHX1 (0.53) LPAR3LPAR2CA12CA1CA2
SCHEMBL20041842 0.81 KDM4E (0.53) LPAR3LPAR2CA12CA1CA2
SCHEMBL25517756 0.81 KDM4E (0.53) LPAR3LPAR2CA12CA1CA2

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-2277496-B1 Dental material containing surface-modified fillers IVOCLAR VIVADENT AG (LI) 2016-03-30 EP disclosed