SCHEMBL8935361

SCHEMBL8935361

O=C1CCCCC(C(=O)c2ccc(CCl)cc2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MME P08473 6/20 0.33
ABL1 P00519 1/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
ACE P12821 2/20 0.33

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
SCHEMBL993051 0.89 MCL1 (0.45) MCL1SMN1; SMN2GAAMAPK1NPC1
SCHEMBL1933595 0.88 MCL1 (0.44) MCL1SMN1; SMN2GAAMAPK1MME
SCHEMBL10531994 0.88 MCL1 (0.44) MCL1SMN1; SMN2GAAMAPK1MME
SCHEMBL6225198 0.85 MGLL (0.40) MCL1SMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL8028222 0.85 MCL1 (0.39) MCL1SMN1; SMN2GAAMAPK1ABL1
SCHEMBL38409 0.82 MCL1 (0.57) MCL1SMN1; SMN2GAAALDH1A1MME
SCHEMBL8014971 0.82 MCL1 (0.57) MCL1SMN1; SMN2GAAALDH1A1MME
SCHEMBL7690183 0.81 THRA (0.47) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL8645790 0.81 MCL1 (0.55) MCL1SMN1; SMN2ALDH1A1MMEHDAC3
Propylene Glycol SCHEMBL11497812 0.81 MAPK1 (0.38) MCL1SMN1; SMN2GAAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053527-B Synthetic method and application of high-molecular cationic bleaching activator 江南大学 2020-05-08 CN disclosed
CN-1161710-A Quarternary substituted bleach activators PROCTER & GAMBLE (US) 1997-10-08 CN disclosed
CN-1161709-A Multi-substituted bleach activators PROCTER & GAMBLE (US) 1997-10-08 CN disclosed
US-5561235-A CLEANING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-10-01 US disclosed
US-5560862-A CLEANING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-10-01 US disclosed
US-5460747-A Multiple-substituted bleach activators THE PROCTER & GAMBLE CO. (US) 1995-10-24 US disclosed