SCHEMBL9724473

SCHEMBL9724473

NC(=O)Nc1ccccc1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 4/20 0.57
NR1H4 Q96RI1 2/20 0.56
PTGS2 P35354 4/20 0.54
TTR P02766 2/20 0.54
AKR1B10 O60218 1/20 0.54
UGT1A9 O60656 1/20 0.54
TRPA1 O75762 1/20 0.54
ABCB11 O95342 1/20 0.54
MT-CO2 P00403 1/20 0.54
ALB P02768 1/20 0.54
UGT1A6 P19224 1/20 0.54
UGT1A1 P22309 1/20 0.54
PTGS1 P23219 1/20 0.54
CXCR1 P25024 1/20 0.54
ADRA1A P35348 1/20 0.54
AGTR2 P50052 1/20 0.54
NR1I3 Q14994 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
UGT1A7 Q9HAW7 1/20 0.54
UGT1A10 Q9HAW8 1/20 0.54

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
SCHEMBL5270832 0.95 SUCNR1 (0.56) CXCL8NR1H4PTGS2TTRAKR1B10
Benzaldehyde SCHEMBL11554981 0.89 NR1H4 (0.48) CXCL8NR1H4PTGS2TTRAKR1B10
SCHEMBL8860337 0.86 CXCL8 (0.59) CXCL8NR1H4PTGS2TTRAKR1B10
Hydrochloric Acid SCHEMBL5144329 0.85 CXCL8 (0.57) CXCL8NR1H4PTGS2TTRAKR1B10
SCHEMBL11517893 0.84 ADRA2C (0.54) CXCL8NR1H4PTGS2TTRAKR1B10
SCHEMBL3054871 0.83 NR1H4 (0.59) CXCL8NR1H4PTGS2TTRAKR1B10
SCHEMBL31226210 0.83 NR1H4 (0.59) CXCL8NR1H4PTGS2TTRAKR1B10
SCHEMBL10967695 0.83 GAA (0.46) CXCL8NR1H4PTGS2TTRAKR1B10
SCHEMBL5151913 0.83 SUCNR1 (0.60) CXCL8NR1H4PTGS2SUCNR1CFD
SCHEMBL465541 0.82 GAA (0.52) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045523-B1 ALPHA-SUBSTITUTED UREIDOBENZYLPENICILLANIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1984-12-05 EP claimed
EP-0045523-A1 Alpha-substituted ureidobenzylpenicillanic acid derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-02-10 EP claimed
JP-58135890-A None JP disclosed
JP-57032289-A None JP disclosed
JP-55031044-A None JP disclosed
JP-55036411-A None JP disclosed
JP-55143995-A None JP disclosed
JP-56040687-A None JP disclosed
JP-4235165-A None JP disclosed
CN-101973941-B Method for preparing 4-hydroxyphenyl hydantoin TIANJIN VOCATIONAL INST 2012-11-28 CN disclosed
CN-101973941-A Method for preparing 4-hydroxyphenyl hydantoin TIANJIN VOCATIONAL INST 2011-02-16 CN disclosed
JP-S5732289-A ALPHA-SUBSTITUTED UREIDOBENZYLPENICILLIN CHUGAI PHARMACEUT CO LTD 1982-02-20 JP disclosed
EP-0045523-A1 Alpha-substituted ureidobenzylpenicillanic acid derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-02-10 EP disclosed
US-4301161-A BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1981-11-17 US disclosed
US-4298605-A ANTIBIOTICS, BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1981-11-03 US disclosed
JP-S5640687-A PREPARATION OF PENICILLANIC ACID DERIVATIVE OR ITS SALT CHUGAI PHARMACEUT CO LTD 1981-04-16 JP disclosed
JP-S55143995-A CEPHALOSPORIN DERIVATIVE AND ITS PREPARATION CHUGAI PHARMACEUT CO LTD 1980-11-10 JP disclosed
US-4229348-A Penicillanic acid derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1980-10-21 US disclosed
JP-S5536411-A BENZYLPENICILLIN DERIVATIVE AND THEIR PREPARATION CHUGAI PHARMACEUT CO LTD 1980-03-14 JP disclosed
JP-S5531044-A PENICILLANIC ACID DERIVATIVE AND ITS PREPARATION CHUGAI PHARMACEUT CO LTD 1980-03-05 JP disclosed