SCHEMBL27319149

SCHEMBL27319149

COc1ccc2c(c1)oc(=O)c1cc(OCCN(C)C)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.70
▸ KDM4E B2RXH2 6/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ POLB P06746 6/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ STAT1 P42224 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ ACHE P22303 7/20 0.64
▸ BCHE P06276 6/20 0.64
▸ ESR1 P03372 4/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ SIGMAR1 Q99720 2/20 0.56
▸ TDP1 Q9NUW8 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ APEX1 P27695 4/20 0.55
▸ ESR2 Q92731 4/20 0.55

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
SCHEMBL1794305 0.95 BCHE (0.63) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL29069246 0.94 MAPT (0.68) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL30566350 0.94 MAPT (0.68) MAPTKDM4EALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL11561758 0.94 ACHE (0.62) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL30566345 0.93 MAPT (0.67) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL29069228 0.93 MAPT (0.67) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL30566359 0.92 MAPT (0.65) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL29069233 0.92 MAPT (0.65) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL1796831 0.88 ACHE (0.64) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL26766690 0.88 ACHE (0.56) MAPTKDM4EALDH1A1POLBNPC1

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
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 — — WO disclosed
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