SCHEMBL2815698

SCHEMBL2815698

C=C(C)C(=O)N(CCC#N)CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 4/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
MLYCD O95822 2/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 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
SCHEMBL2817887 0.94 ZDHHC20 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL2817304 0.90 MLYCD (0.36) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL474981 0.89 ALDH1A1 (0.40) ZDHHC20ZDHHC2TSHRMLYCDALDH1A1
SCHEMBL12796708 0.86 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL154749 0.86 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL2813504 0.84 MLYCD (0.43) ZDHHC20ZDHHC2TSHRMLYCDALDH1A1
SCHEMBL376061 0.82 CA12 (0.47) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL376174 0.82 CA12 (0.47) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL8699021 0.81 CYP1A2 (0.39) TSHRMLYCDALDH1A1NPC1L3MBTL1
SCHEMBL20287877 0.80 CA12 (0.45) ZDHHC20ZDHHC2CA12CA1CA9

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
US-20100247880-A1 NOVEL COPOLYMER, NOVEL COPOLYMER-CONTAINING COMPOSITION, LAMINATE BODY, METHOD OF PRODUCING METAL FILM-COATED MATERIAL, METAL FILM-COATED MATERIAL, METHOD OF PRODUCING METALLIC PATTERN-BEARING MATERIAL AND METALLIC PATTERN-BEARING MATERIAL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed