SCHEMBL7643003

SCHEMBL7643003

CCCCCN(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.46
BLM P54132 1/20 0.46
HSD17B3 P37058 7/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CNR2 P34972 1/20 0.42
ESR1 P03372 2/20 0.41
ESRRG P62508 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6326806 0.87 NPC1 (0.53) PLA2G2ABLMCNR2KDM4EALDH1A1
SCHEMBL8905205 0.86 CYP3A4 (0.46) PLA2G2ABLMCNR2ALDH1A1GAA
SCHEMBL15518329 0.86 CNR2 (0.48) PLA2G2ABLMCNR2
SCHEMBL3982113 0.85 NPC1 (0.55) PLA2G2ABLMCNR2ALDH1A1NPC1
SCHEMBL10956818 0.85 NPC1 (0.55) PLA2G2ABLMCNR2ALDH1A1NPC1
SCHEMBL10951817 0.85 NPC1 (0.55) PLA2G2ABLMCNR2ALDH1A1NPC1
SCHEMBL4744062 0.85 NPC1 (0.55) PLA2G2ABLMCNR2ALDH1A1NPC1
SCHEMBL10952007 0.85 NPC1 (0.55) PLA2G2ABLMCNR2ALDH1A1NPC1
SCHEMBL1834462 0.84 NR1H2 (0.50) HSD17B3NR1H2NR1H3CNR2ESR1
SCHEMBL11667468 0.83 CNR2 (0.50) PLA2G2ABLMCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437175-B2 MILD REACTION CONDITIONS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2002-08-20 US claimed
JP-52130987-A None JP disclosed
CN-107987023-A A kind of method of solid acid catalysis synthesis 4-Hydroxyphenyl hydantoin 天津市职业大学 2018-05-04 CN disclosed
US-6437175-B2 MILD REACTION CONDITIONS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2002-08-20 US disclosed
US-20010031890-A1 Process for the racemization of nu-acylamino acids by means of transition metal catalysts AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2001-10-18 US disclosed
EP-1136466-A2 Process for racemising N-acyl-amino acids with transition metal catalysts Aventis Research & Technologies GmbH & Co KG (DE) 2001-09-26 EP disclosed
US-4309362-A SEEDING SUPERSATURATED SOLUTION WITH CRYSTAL OF ENANTIOMORPH TANABE SEIYAKU CO., LTD. (JP) 1982-01-05 US disclosed
JP-S52130987-A OPTICAL RESOLUTION OF N-ACYL-P-HYDROXY-DL-PHENYLGLYCINE NIPPON SODA CO LTD 1977-11-02 JP disclosed