SCHEMBL6284942

SCHEMBL6284942

CNC(=O)NCC(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CNR2 P34972 1/20 0.31
KCNA3 P22001 1/20 0.31
KCNA5 P22460 1/20 0.31
TSHR P16473 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL9682352 0.88 SMN1; SMN2 (0.39) HSD17B10SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL6285495 0.82 HSD17B10 (0.39) HSD17B10SMN1; SMN2L3MBTL1KEAP1NFE2L2
SCHEMBL20218457 0.82 HSD17B10 (0.35) HSD17B10SMN1; SMN2L3MBTL1KEAP1NFE2L2
SCHEMBL6289597 0.82 HSD17B10 (0.33) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL622102 0.80 SMN1; SMN2 (0.34) HSD17B10SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL6290232 0.79 HSD17B10 (0.34) HSD17B10SMN1; SMN2ALDH1A1KEAP1NFE2L2
SCHEMBL9278494 0.78 HSD17B10 (0.36) HSD17B10SMN1; SMN2ALDH1A1KEAP1NFE2L2
SCHEMBL11256982 0.78 SMN1; SMN2 (0.39) HSD17B10SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL24053128 0.77 HSD17B10 (0.32) HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL6285746 0.77 HSD17B10 (0.36) HSD17B10SMN1; SMN2L3MBTL1TSHR

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