SCHEMBL1893431

SCHEMBL1893431

NC(CS)C(=O)OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
SLC7A11 Q9UPY5 1/20 0.52
ENPEP Q07075 12/20 0.40
ANPEP P15144 5/20 0.40
TSHR P16473 1/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.37
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 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
SCHEMBL197220 1.00 PTGS1 (0.52) PTGS1SLC7A11ENPEPANPEPTSHR
SCHEMBL27261078 0.83 ENPEP (0.45) PTGS1SLC7A11ENPEPANPEPTSHR
SCHEMBL3937601 0.82 PTGS1 (0.46) PTGS1SLC7A11ENPEPANPEPTSHR
Lysine SCHEMBL3150609 0.82 GSR (0.61) PTGS1SLC7A11TSHRGRM8GRM6
Lysine SCHEMBL3150616 0.82 GSR (0.61) PTGS1SLC7A11TSHRGRM8GRM6
SCHEMBL2100344 0.79 TSHR (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL27633938 0.79 TSHR (0.40) PTGS1SLC7A11TSHRCTHCBS
SCHEMBL3714789 0.78 PTGS1 (0.48) PTGS1SLC7A11ENPEPANPEPGRM8
SCHEMBL8751954 0.78
SCHEMBL28980587 0.77 TSHR (0.39) TSHRCTHCBSTHPOTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125806-B2 Compositions with enhanced elasticizing activity POLICHEM SA (LU) 2015-09-08 US disclosed
US-7939489-B2 comprises butylene/ethylene/propylene/styrene block copolymers and lactoglobulins; for cleaning skin, nails or hair; for treatment of acne AVON PRODUCTS, INC. (US) 2011-05-10 US disclosed
EP-2049092-B1 COMPOSITIONS WITH ENHANCED ELASTICIZING ACTIVITY POLICHEM SA (LU) 2010-02-17 EP disclosed
US-20090291931-A1 COMPOSITIONS WITH ENHANCED ELASTICIZING ACTIVITY POLICHEM SA (LU) 2009-11-26 US disclosed
EP-2049092-A2 COMPOSITIONS WITH ENHANCED ELASTICIZING ACTIVITY POLICHEM S.A. (LU) 2009-04-22 EP disclosed
WO-2008017521-A2 COMPOSITIONS WITH ENHANCED ELASTICIZING ACTIVITY POLICHEM SA (LU) 2008-02-14 WO disclosed
EP-1886676-A1 Compositions with enhanced elasticizing activity POLICHEM S.A. (LU) 2008-02-13 EP disclosed
US-4394520-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-07-19 US disclosed
US-4139635-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1979-02-13 US disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 US disclosed