SCHEMBL9700171

SCHEMBL9700171

C=CC(=O)N1CC(C)OC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ POLB P06746 3/20 0.45
▸ PDK1 Q15118 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10138954 0.80 — —
SCHEMBL26522874 0.79 PDK1 (0.48) SMN1; SMN2POLBPDK1ALDH1A1NPC1
SCHEMBL26522856 0.79 PDK1 (0.48) SMN1; SMN2POLBPDK1ALDH1A1NPC1
SCHEMBL21561651 0.79 PDK1 (0.48) SMN1; SMN2POLBPDK1ALDH1A1NPC1
SCHEMBL21561662 0.79 PDK1 (0.48) SMN1; SMN2POLBPDK1ALDH1A1NPC1
SCHEMBL31395068 0.77 PDK1 (0.50) PDK1ALDH1A1NPC1NPSR1
SCHEMBL21641656 0.77 PDK1 (0.50) PDK1ALDH1A1NPC1NPSR1
SCHEMBL31395014 0.77 PDK1 (0.50) PDK1ALDH1A1NPC1NPSR1
SCHEMBL25205555 0.77 JAK3 (0.45) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL18232330 0.77 TEAD1 (0.36) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-5106808-A Reaction product of alpha-hydroxy ketone and primary amine; rapid cure, bond strength MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-21 — — US disclosed
US-5003016-A Reaction Product of A-Hydroxy ketone and a Primary Amine MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-03-26 — — US disclosed
EP-0359349-A2 Thermoreversible thickener Japan as represented by Director-General, Agency of Industrial Science and Technology (JP) 1990-03-21 — — EP disclosed
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