SCHEMBL8380440

SCHEMBL8380440

COCCOCOc1ccccc1/C=C/C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.56
PTGER4 P35408 3/20 0.56
PTGER2 P43116 3/20 0.56
PTGER1 P34995 2/20 0.56
GAA P10253 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NFE2L2 Q16236 2/20 0.48
TFEB P19484 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
BCHE P06276 1/20 0.46
RAB9A P51151 1/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL10477126 0.89 KDM4E (0.60) PTGER3PTGER4PTGER2PTGER1SMN1; SMN2
SCHEMBL10477123 0.89 KDM4E (0.60) PTGER3PTGER4PTGER2PTGER1SMN1; SMN2
SCHEMBL3340127 0.87 PTGER3 (0.62) PTGER3PTGER4PTGER2PTGER1GAA
SCHEMBL2292426 0.87 PTGER3 (0.62) PTGER3PTGER4PTGER2PTGER1GAA
SCHEMBL3235018 0.80 ALDH1A1 (0.62) GAAHTTSMN1; SMN2KDM4ELMNA
SCHEMBL14843147 0.80 PTGER1 (0.64) PTGER3PTGER4PTGER2PTGER1GAA
SCHEMBL1356220 0.80 PTGER1 (0.64) PTGER3PTGER4PTGER2PTGER1GAA
SCHEMBL10407861 0.79 NFE2L2 (0.47) PTGER3PTGER4PTGER2GAANFE2L2
SCHEMBL10407860 0.79 NFE2L2 (0.47) PTGER3PTGER4PTGER2GAANFE2L2
SCHEMBL7951999 0.79 ALDH1A1 (0.40) GAASMN1; SMN2KDM4EMAPTPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed