SCHEMBL7038760

SCHEMBL7038760

O=C(Oc1ccccc1C(=O)C(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.74
HPGD P15428 5/20 0.74
KDM4E B2RXH2 4/20 0.74
ALDH1A1 P00352 4/20 0.74
ALOX15 P16050 2/20 0.59
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
USP2 O75604 2/20 0.45

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
SCHEMBL3635482 0.86 HPGD (0.76) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL15562 0.85 HSD17B10 (1.00) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL29362887 0.85 HSD17B10 (1.00) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL2025628 0.85 HSD17B10 (1.00) HSD17B10HPGDKDM4EALDH1A1ALOX15
SCHEMBL9650827 0.85 HSD17B10 (0.64) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL25177171 0.84 KDM4E (0.96) HSD17B10HPGDKDM4EALDH1A1ALOX15
SCHEMBL13826872 0.84 HSD17B10 (0.96) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL9624915 0.84 HSD17B10 (0.96) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL9704557 0.84 HSD17B10 (0.96) HSD17B10HPGDKDM4EALDH1A1ALOX15
Salsalate SCHEMBL25260636 0.84 HSD17B10 (0.96) HSD17B10HPGDKDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797453-B1 COMPOSITION FOR TREATMENT OF MALIGNANT TUMORS AND THEIR METASTASES CO ENZYME TECHNOLOGY LTD (US) 2003-03-26 EP claimed