SCHEMBL7963576

SCHEMBL7963576

O=C(O)COc1ccc(F)c(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
PKM P14618 1/20 0.51
PTGDR2 Q9Y5Y4 11/20 0.50
MAPT P10636 1/20 0.50
FFAR1 O14842 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
TSHR P16473 1/20 0.49
PTGDR Q13258 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6744367 0.79 PKM (0.53) TDP1PKMPTGDR2MAPTFFAR1
SCHEMBL19555393 0.79 TDP1 (0.70) TDP1PTGDR2MAPTFFAR1PPARG
SCHEMBL18936623 0.75 PKM (0.49) TDP1PKMPTGDR2MAPTFFAR1
SCHEMBL2949180 0.74 PKM (0.70) TDP1PKMPTGDR2FFAR1PPARG
SCHEMBL14282688 0.74 PKM (0.59) TDP1PKMPTGDR2TSHRPTGDR
SCHEMBL29757370 0.73 L3MBTL1 (0.61) TDP1PKMPTGDR2MAPTFFAR1
SCHEMBL7784463 0.73 KDM4E (0.58) TDP1PKMPTGDR2MAPTPOLB
SCHEMBL257482 0.73 L3MBTL1 (0.61) TDP1PKMPTGDR2MAPTFFAR1
SCHEMBL1333513 0.73 TDP1 (0.72) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL1332096 0.73 PKM (0.68) TDP1PKMPTGDR2MAPTPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
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
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed