SCHEMBL7437352

SCHEMBL7437352

O=C(O)C(Cc1ccc(O)c(O)c1)N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM6B O15054 1/20 0.45
▸ SLC7A5 Q01650 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HIF1A Q16665 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
SCHEMBL7441915 0.89 HSD17B10 (0.50) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL7362550 0.88 LMNA (0.49) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL9554875 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL30311959 0.79 KDM6B (0.54) HSD17B10ALDH1A1LMNAPOLBKDM6B
SCHEMBL7363077 0.79 ALDH1A1 (0.54) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL10333560 0.79 ALDH1A1 (0.54) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL8764792 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL7275088 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL8764783 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL31498020 0.77 SLC7A5 (0.56) HSD17B10ALDH1A1LMNAPOLBL3MBTL1

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-0393781-A2 Dopamine pro-drug ZAMBON GROUP S.p.A. (IT) 1990-10-24 — — EP disclosed
Send feedback