SCHEMBL7960747

SCHEMBL7960747

O=C(CO)Oc1cccc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
ALOX15 P16050 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 4/20 0.42
CA2 P00918 4/20 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
CA6 P23280 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
SCHEMBL4641369 0.86 GAA (0.52) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL11018529 0.82 HSD17B10 (0.45) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL67780 0.82 ALOX15 (0.50) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL11419979 0.82 KMT2A (0.46) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL27572295 0.82 SMN1; SMN2 (0.54) ALDH1A1HPGDLMNAMAPK1TDP1
SCHEMBL11420384 0.81 POLM (0.48) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL5316653 0.79 IAPP (0.50) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL14057667 0.79 HSD17B10 (0.54) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL17183803 0.78 PRKCA (0.43) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL4644099 0.78 CA12 (0.62) HSD17B10ALOX15ALDH1A1HPGDLMNA

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 6 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
EP-0551034-B1 Antibiotic cephalosporins having in position 7 a substituted benzyloxyimino radical HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-1016646-A1 Intermediates for the preparation of cephalosporines containing on the 7-position a substituted benzyloximino radical HOECHST MARION ROUSSEL (FR) 2000-07-05 EP 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
EP-0551034-A2 Cephalosporins having in position 7 a benzyloxyimino radical substitute, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1993-07-14 EP disclosed