SCHEMBL7960745

SCHEMBL7960745

CC(=O)OOc1cccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX12 P18054 1/20 0.52
THRB P10828 1/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
ADAMTS4 O75173 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL27623412 0.86 TSHR (0.50) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11014480 0.85 THRB (0.61) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL10957905 0.83 ESR1 (0.50) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL10394801 0.82 MAPK1 (0.47) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL1458762 0.79 HSD17B10 (0.56) ALDH1A1LMNAHPGDALOX15HSD17B10
Ethylenediamine SCHEMBL1536548 0.76 KDM4E (0.47) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11139550 0.74 POLB (0.46) ALDH1A1LMNAHPGDHSD17B10MAPT
Ethylene SCHEMBL1536547 0.74 HSD17B10 (0.50) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11125987 0.74 PREP (0.49) ALDH1A1LMNAHPGDHSD17B10TP53
SCHEMBL10611190 0.74 LMNA (0.67) ALDH1A1LMNAHPGDALOX15HSD17B10

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