SCHEMBL8411513

SCHEMBL8411513

NC(=O)/C=C/C(=O)NCCOCCS

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
NLRP1 Q9C000 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
DDAH1 O94760 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL8411518 1.00 PYGL (0.39) PYGLMEN1KMT2ALMNAALDH1A1
SCHEMBL9520204 0.81 ALDH1A1 (0.35) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL8411534 0.81 ALDH1A1 (0.35) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL8411543 0.81 ALDH1A1 (0.35) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL8414196 0.78 ALDH1A1 (0.39) PYGLKMT2AALDH1A1MAPTHTT
SCHEMBL8414190 0.78 ALDH1A1 (0.39) PYGLKMT2AALDH1A1MAPTHTT
SCHEMBL8415004 0.75 HDAC3 (0.41) PYGLKMT2AALDH1A1MAPT
SCHEMBL8415006 0.75 HDAC3 (0.41) PYGLKMT2AALDH1A1MAPT
SCHEMBL10606082 0.73 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL8415082 0.73 MEN1 (0.36) MEN1KMT2ALMNASMN1; SMN2CA2

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