SCHEMBL111177

SCHEMBL111177

C/C=C/C(=O)NCCNCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GLA P06280 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 3/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
CNR1 P21554 1/20 0.32
PYGL P06737 1/20 0.32

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
SCHEMBL110687 0.88 CYP2C19 (0.44) SMN1; SMN2APEX1ALDH1A1MEN1KMT2A
SCHEMBL112614 0.88 APEX1 (0.46) SMN1; SMN2APEX1ALDH1A1MEN1KMT2A
SCHEMBL22187119 0.87 SMN1; SMN2 (0.46) SMN1; SMN2APEX1ALDH1A1KMT2AZDHHC20
SCHEMBL14642043 0.87 SMN1; SMN2 (0.46) SMN1; SMN2APEX1ALDH1A1KMT2AZDHHC20
SCHEMBL109309 0.86 ZDHHC20 (0.46) APEX1ALDH1A1ZDHHC20ZDHHC2EGFR
SCHEMBL26700000 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL4750923 0.80
SCHEMBL6416108 0.80
Hydrochloric Acid SCHEMBL28199814 0.80 KDM1A (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL1099502 0.80

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