SCHEMBL109537

SCHEMBL109537

C/C=C/C(=O)OCCCCCNC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 2/20 0.38
ACHE P22303 6/20 0.37
APP P05067 3/20 0.35
HPGD P15428 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34

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
SCHEMBL110356 0.93 ATM (0.48) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL28872434 0.87 ATM (0.58) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL20875241 0.87 ATM (0.58) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL17695742 0.86 HCAR2 (0.50) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL109847 0.85 ATM (0.42) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL3268185 0.85 ATM (0.42) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL8669692 0.84 ATM (0.60) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL20875236 0.84 ATM (0.60) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL110969 0.83 HCAR2 (0.47) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL25174772 0.82 ATM (0.64) HCAR2ATMTSHRALDH1A1CYP3A4

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