SCHEMBL8414201

SCHEMBL8414201

NC(=O)CCC(=O)NCCOCCS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.41
CA1 P00915 7/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 6/20 0.41
CA4 P22748 6/20 0.41
CA14 Q9ULX7 6/20 0.41
HDAC3 O15379 6/20 0.36
HDAC4 P56524 6/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC7 Q8WUI4 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC10 Q969S8 6/20 0.36
HDAC11 Q96DB2 6/20 0.36
HDAC8 Q9BY41 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC9 Q9UKV0 6/20 0.36
HDAC5 Q9UQL6 6/20 0.36
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8412392 0.91 TSHR (0.44) CA2CA1CA9CA12CA4
SCHEMBL8415082 0.85 MEN1 (0.36) CA2CA1CA9CA12CA4
SCHEMBL24592016 0.85 CA2 (0.47) CA2CA1CA9CA12CA4
SCHEMBL9125793 0.84 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL19560651 0.82 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL15870366 0.82 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL30137817 0.81 TSHR (0.49) CA2CA1CA9CA12CA4
SCHEMBL29686797 0.81 TSHR (0.49) CA2CA1CA9CA12CA4
SCHEMBL9123966 0.81 TSHR (0.41) CA2CA1CA9CA12CA4
SCHEMBL18773776 0.81 CA2 (0.43) CA2CA1CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985257-A HAIR PERMANENT L'OREAL (FR) 1999-11-16 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