SCHEMBL3158140

SCHEMBL3158140

CC(=O)NC(CSCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
PAM P19021 1/20 0.44
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
ICMT O60725 1/20 0.41
GNPAT O15228 1/20 0.41
FOLH1 Q04609 2/20 0.39
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
PRNP P04156 1/20 0.38

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
SCHEMBL3158146 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16745722 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL31405642 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6308419 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL28467960 0.88 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL28467961 0.88 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16745723 0.86 ALDH1A1 (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL5841482 0.85 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4952874 0.84 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8988205 0.84 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405638-A ANTITUSSIVE AGENTS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 1983-09-20 US claimed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US claimed
EP-0497525-B2 Pneumococcal polysaccharide conjugate vaccine MERCK & CO INC (US) 2010-03-03 EP disclosed
US-20050271608-A1 Skin whitening compositions based on hydroxyaryl alkyl ketones and their isosteric derivatives GUPTA SHYAM K 2005-12-08 US disclosed
EP-0497525-B1 Pneumococcal polysaccharide conjugate vaccine MERCK & CO INC (US) 1998-08-19 EP disclosed
US-5623057-A IMMUNOGENIC PROTEIN COVALENTLY LINKED TO POLYSACCHARIDE DERIVED FROM STREPTOCOCCUS PNEUMONIAE MERCK & CO., INC. (US) 1997-04-22 US disclosed
CN-1020733-C PROCESS FOR PREPARING COVALENT CONJUNCT AGENT OF BACTERIAL POLYSACCHARIDE AND IMMUNOGEN PROTEIN MC CO LTD (US) 1993-05-19 CN disclosed
EP-0497525-A2 Pneumococcal polysaccharide conjugate vaccine MERCK & CO. INC. (US) 1992-08-05 EP disclosed
EP-0467714-A1 The class II protein of the outer membrane of neisseria meningitidis MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0161188-B1 COVALENTLY-MODIFIED BACTERIAL POLYSACCHARIDES, STABLE COVALENT CONJUGATES OF SUCH POLYSACCHARIDES AND IMMUNOGENIC PROTEINS WITH BIGENERIC SPACERS, AND METHODS OF PREPARING SUCH POLYSACCHARIDES AND CONJUGATES AND OF CONFIRMING COVALENCY MERCK & CO. INC. (US) 1991-04-03 EP disclosed
US-4882317-A SOLUBILIZATION MERCK & CO., INC. (US) 1989-11-21 US disclosed
CN-85104164-A Preparation method of covalent conjugate of bacterial polysaccharide and immunogen protein 1987-02-04 CN disclosed
EP-0161188-A2 Covalently-modified bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency MERCK & CO. INC. (US) 1985-11-13 EP disclosed
US-4405638-A ANTITUSSIVE AGENTS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 1983-09-20 US disclosed
US-4394520-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-07-19 US disclosed
US-4204064-A FOR TREATMENT OF SKIN OR SCALP L'OREAL (FR) 1980-05-20 US disclosed
US-4151301-A ANTISECRETORY L'OREAL (FR) 1979-04-24 US disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed