SCHEMBL8411545

SCHEMBL8411545

CN(C)CCCNC(=O)c1ccc(C(=O)NCCS)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.70
HDAC1 Q13547 6/20 0.61
HDAC10 Q969S8 6/20 0.61
HDAC6 Q9UBN7 6/20 0.61
HDAC8 Q9BY41 5/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL10020214 0.93 HPGD (0.79) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL2120449 0.87 HPGD (0.70) HPGDSMN1; SMN2THRATHRBALDH1A1
SCHEMBL30074578 0.85 HPGD (0.68) HPGDSMN1; SMN2THRATHRBALDH1A1
SCHEMBL9511746 0.85 HPGD (0.68) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL3004623 0.85 HPGD (0.68) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL30074576 0.85 HPGD (0.68) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL30074575 0.85 HPGD (0.68) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL30074627 0.85 HPGD (0.68) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL30074586 0.85 HPGD (0.68) HPGDHDAC1HDAC10HDAC6HDAC8
SCHEMBL1559831 0.85 HPGD (0.73) HPGDHDAC1HDAC10HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985257-A HAIR PERMANENT L'OREAL (FR) 1999-11-16 US claimed
US-5935558-A FOR PERMANENT WAVING OF HAIR; IMPROVED CURLING, LOW ODOR L'OREAL, SA (FR) 1999-08-10 US claimed
EP-0653202-B1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent OREAL (FR) 1998-03-04 EP claimed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP claimed
US-5985257-A HAIR PERMANENT L'OREAL (FR) 1999-11-16 US disclosed
US-5935558-A FOR PERMANENT WAVING OF HAIR; IMPROVED CURLING, LOW ODOR L'OREAL, SA (FR) 1999-08-10 US disclosed
US-5843416-A Cosmetic composition containing an n-mercaptoalkylalkanediamide or one of its cosmetically acceptable salts as reducing agent L'OREAL (FR) 1998-12-01 US disclosed
EP-0653202-B1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent OREAL (FR) 1998-03-04 EP disclosed
US-5700454-A FOR PERMANENT WAVING OF HAIR WITH IMPROVED CURLING EFFICIENCY L'OREAL (FR) 1997-12-23 US disclosed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP disclosed