SCHEMBL2813504

SCHEMBL2813504

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.43
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.35
CASP1 P29466 1/20 0.35
DPP4 P27487 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL474981 0.90 ALDH1A1 (0.40) MLYCDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL2817304 0.87 MLYCD (0.36) MLYCDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL8699021 0.85 CYP1A2 (0.39) MLYCDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL2815698 0.84 ZDHHC20 (0.42) MLYCDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL2817887 0.82 ZDHHC20 (0.50) MLYCDALDH1A1NPC1L3MBTL1TSHR
SCHEMBL50335 0.80 MLYCD (0.47) MLYCDALDH1A1NPC1L3MBTL1CASP1
SCHEMBL375752 0.78 CA12 (0.43) MLYCDALDH1A1TSHRPOLBHPGD
SCHEMBL18457667 0.78 CA12 (0.42) ALDH1A1TSHRHPGD
SCHEMBL1344184 0.78 ALDH1A1 (0.44) MLYCDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL21608 0.77 LMNA (0.40) ALDH1A1L3MBTL1CYP1A2TSHRHTT

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