SCHEMBL8414232

SCHEMBL8414232

CNC(=O)c1ccc(C(=O)NCCS)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC2 Q92769 3/20 0.53
PLK1 P53350 6/20 0.53
HDAC1 Q13547 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL12308200 0.90 HDAC1 (0.58) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL21975038 0.89 MEN1 (0.43) HDAC6HDAC8HDAC2PLK1HDAC1
SCHEMBL4159723 0.85 POLB (0.68) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL8415068 0.85 HDAC1 (0.51) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL12308254 0.84 HDAC3 (0.53) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL8414393 0.82 POLB (0.56) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL12893201 0.82 MMP13 (0.60) HDAC6HDAC8HDAC2PLK1EPHX2
SCHEMBL18460457 0.81 BRD4 (0.39) HDAC6HDAC8HDAC2PLK1HDAC1
SCHEMBL8414992 0.81 HDAC1 (0.50) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL9182953 0.80 MLYCD (0.54) HDAC6HDAC8HDAC2HDAC1HDAC10

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