SCHEMBL11047731

SCHEMBL11047731

C/C(N)=C/C(=O)NCCCCCCNC(=O)/C=C(/C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
PAOX Q6QHF9 2/20 0.47
MAPT P10636 1/20 0.43
ADRA1A P35348 1/20 0.41
EPHX1 P07099 5/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL11048988 1.00 KDM4E (0.50) KDM4EMAPK1HIF1AZDHHC20ZDHHC2
SCHEMBL11052618 0.98 KDM4E (0.46) KDM4EMAPK1HIF1AZDHHC20ZDHHC2
SCHEMBL11049989 0.89 ALDH1A1 (0.40) KDM4EMAPK1HIF1AZDHHC20ZDHHC2
SCHEMBL11488086 0.88 ZDHHC20 (0.48) ZDHHC20ZDHHC2MAPTEPHX1
SCHEMBL11049035 0.83 ALDH1A1 (0.37) KDM4EZDHHC20ZDHHC2MAPTALDH1A1
SCHEMBL15780411 0.77
SCHEMBL11571203 0.77 KDM4E (0.48) KDM4EMAPK1HIF1AZDHHC20ZDHHC2
SCHEMBL14873865 0.75 ZDHHC20 (0.63) KDM4EMAPK1HIF1AZDHHC20ZDHHC2
SCHEMBL14873848 0.75 ZDHHC20 (0.63) KDM4EMAPK1HIF1AZDHHC20ZDHHC2
SCHEMBL11596725 0.75 MAPT (0.36) MAPTALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161580-A Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage CIBA-GEIGY CORPORATION (US) 1979-07-17 US claimed
US-4089845-A Thermosetting mixtures which are stable on storage from polyimide and .beta. CIBA-GEIGY CORPORATION (US) 1978-05-16 US claimed
US-4424336-A Meat-curable mixture, which are stable on storage, of epoxide resin, 3-aminocrotonic acid derivatives and maleimide compound CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
US-4360655-A Heat-curable mixtures, which are stable on storage, of epoxide compounds β-aminocrotonic acid derivatives and polyamine CIBA-GEIGY CORPORATION (US) 1982-11-23 US disclosed
US-4348511-A POLYURETHANES MODIFIED WITH BETA-AMINOCROTONIC ACID DERIVATIVES CIBA-GEIGY CORPORATION (US) 1982-09-07 US disclosed
US-4291146-A Heat-curable mixtures, which are stable on storage, of expoxide resins and β-aminocrotonic acid derivatives CIBA-GEIGY CORPORATION (US) 1981-09-22 US disclosed
US-4284752-A Process for producing crosslinked unsaturated polymers by reaction of .beta. CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed
US-4161580-A Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4089845-A Thermosetting mixtures which are stable on storage from polyimide and .beta. CIBA-GEIGY CORPORATION (US) 1978-05-16 US disclosed