SCHEMBL8943904

SCHEMBL8943904

O=[C]Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.58
CAMK2A Q9UQM7 1/20 0.58
AKR1B1 P15121 1/20 0.56
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.54
ABCC4 O15439 1/20 0.54
PTGS1 P23219 1/20 0.54
HTT P42858 1/20 0.54
FFAR1 O14842 1/20 0.53
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 2/20 0.47
NSD2 O96028 1/20 0.47
GRK2 P25098 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL69614 0.83 CA2 (0.79) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL3978022 0.80 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
Hydrochloric Acid SCHEMBL25180348 0.80 CA2 (0.75) CA2CAMK2AAKR1B1LMNAGAA
Hydrochloric Acid SCHEMBL6765874 0.80 CA2 (0.75) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL11139354 0.80 CYP3A4 (0.42) TSHRALDH1A1HPGDHSD17B10TDP1
SCHEMBL16050096 0.78 AKR1B1 (0.71) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL7468734 0.77 FFAR1 (0.64) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL6538715 0.77 ALDH1A1 (0.56) CA2GAATSHRPTGS1ALDH1A1
SCHEMBL7461859 0.77 FFAR1 (0.53) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL18427891 0.75 LMNA (0.86) CA2CAMK2AAKR1B1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224336-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-09-23 US claimed
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US claimed
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US disclosed
US-4891370-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1990-01-02 US disclosed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US disclosed
EP-0244195-A1 2-Vinylpenams and process THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1987-11-04 EP disclosed
US-4560749-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1985-12-24 US disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3979384-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-09-07 US disclosed
US-3962231-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US disclosed