SCHEMBL3245889

SCHEMBL3245889

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
EGFR P00533 1/20 0.33
CISD1 Q9NZ45 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL716222 0.83 KDM4E (0.36) KDM4ELMNAPKMKMT2AATM
SCHEMBL451000 0.82 KDM4E (0.43) KDM4ELMNAATMSLC16A3SLC16A1
SCHEMBL28930584 0.81 SLC16A3 (0.32) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL17222165 0.81 ALDH1A1 (0.42) KDM4ELMNAPKMKMT2AALDH1A1
SCHEMBL28665719 0.79 SLC16A3 (0.31) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL15778760 0.77 TP53 (0.39) KDM4ELMNAPKMKMT2AATM
SCHEMBL360120 0.76 KDM4E (0.42) KDM4ELMNAATMSLC16A3SLC16A1
SCHEMBL619840 0.75 CYP2D6 (0.38) KMT2AALDH1A1
SCHEMBL388924 0.75 CYP2D6 (0.38) KMT2AALDH1A1
SCHEMBL29402 0.75 LMNA (0.38) KDM4ELMNAPKMKMT2ASLC16A3

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-0886507-B2 MONOMERIC COMPOSITIONS EFFECTIVE AS WOUND CLOSURE DEVICES ETHICON INC (US) 2013-03-06 EP claimed
EP-1455738-B1 USE OF ELECTROPHILIC MONOMERS FOR HAIR TREATMENT OREAL (FR) 2010-07-28 EP claimed
EP-0886507-B1 MONOMERIC COMPOSITIONS EFFECTIVE AS WOUND CLOSURE DEVICES CLOSURE MEDICAL CORP (US) 2007-09-26 EP claimed