SCHEMBL110687

SCHEMBL110687

C/C=C/C(=O)NCCCNCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.43
APEX1 P27695 1/20 0.42
KDM1A O60341 4/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.37
PAOX Q6QHF9 1/20 0.37
SAT1 P21673 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL112614 0.96 APEX1 (0.46) CYP2C19KMT2AMEN1GLACYP1A2
SCHEMBL109309 0.94 ZDHHC20 (0.46) CYP2C19CYP1A2APEX1KDM1AALDH1A1
SCHEMBL111177 0.88 SMN1; SMN2 (0.40) CYP2C19KMT2AMEN1GLAAPEX1
SCHEMBL21610956 0.88 APEX1 (0.49) KMT2AAPEX1ALDH1A1KDM4EZDHHC20
SCHEMBL22291562 0.84 ZDHHC20 (0.56) ALDH1A1KDM4EZDHHC20ZDHHC2TSHR
SCHEMBL3701815 0.82 ZDHHC20 (0.52) APEX1ALDH1A1ZDHHC20ZDHHC2EGFR
SCHEMBL3701812 0.82 ZDHHC20 (0.52) APEX1ALDH1A1ZDHHC20ZDHHC2EGFR
SCHEMBL22187118 0.81 APEX1 (0.51) APEX1ALDH1A1KDM4EZDHHC20ZDHHC2
SCHEMBL7532607 0.80 ZDHHC20 (0.60) APEX1ZDHHC20ZDHHC2EGFR
SCHEMBL109519 0.80 APEX1 (0.44) KMT2AAPEX1ALDH1A1KDM4EZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed