SCHEMBL6289629

SCHEMBL6289629

CCCCNCCCOCCCOC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.43
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5245126 0.93 ACHE (0.48) ACHEMAPTALDH1A1RAB9ANPSR1
SCHEMBL5246596 0.88 SAT1 (0.41) ACHEMAPTHSD17B10CYP1A2CYP2C19
SCHEMBL5247237 0.87 ACHE (0.52) ACHEALDH1A1
SCHEMBL5247338 0.86 ACHE (0.46) ACHEALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5249867 0.86 ACHE (0.46) ACHEALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5246653 0.86 ACHE (0.55) ACHEALDH1A1
SCHEMBL23795388 0.85 PAOX (0.47) ACHEMAPTHSD17B10ALDH1A1RAB9A
SCHEMBL5247574 0.85 ACHE (0.47) ACHEALDH1A1CYP2C19
SCHEMBL420529 0.85 ALDH1A1 (0.52) MAPTHSD17B10ALDH1A1RAB9ANPSR1
SCHEMBL18683466 0.82 NAAA (0.53) ACHEMAPTALDH1A1RAB9ANPSR1

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
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed