SCHEMBL11528672

SCHEMBL11528672

O=C(O)C(O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ TTR P02766 3/20 0.50
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ AKR1C2 P52895 2/20 0.41
▸ AKR1C1 Q04828 2/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL11451055 0.84 LMNA (0.48) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL11491180 0.84 LMNA (0.48) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL29449283 0.81 LMNA (0.45) CYP1A2LMNAMAPK1TSHRCYP3A4
SCHEMBL6395202 0.78 BLM (0.57) HSD17B10CYP2C9CYP2C19HIF1ALMNA
SCHEMBL6395199 0.78 BLM (0.57) HSD17B10CYP2C9CYP2C19HIF1ALMNA
SCHEMBL6395193 0.78 BLM (0.57) HSD17B10CYP2C9CYP2C19HIF1ALMNA
SCHEMBL1573246 0.77 LMNA (0.50) LMNAMAPK1TSHRALDH1A1BLM
SCHEMBL1573247 0.77 LMNA (0.50) LMNAMAPK1TSHRALDH1A1BLM
SCHEMBL2346696 0.77 LMNA (0.50) SMN1; SMN2LMNAMAPK1TSHRALDH1A1
SCHEMBL2346690 0.77 LMNA (0.50) SMN1; SMN2LMNAMAPK1TSHRALDH1A1

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
US-4163759-A Process for preparing aromatic hydroxyaldehydes HAARMANN & REIMER GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-08-07 — — US disclosed
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