SCHEMBL4740620

SCHEMBL4740620

O=C1COc2cc3oc(=O)ccc3cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.48
▸ ACHE P22303 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MGAM O43451 2/20 0.48
▸ SI P14410 2/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ MGAM2 Q2M2H8 2/20 0.48
▸ KDM4E B2RXH2 10/20 0.47
▸ ALDH1A1 P00352 10/20 0.47
▸ HPGD P15428 8/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 7/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ MCL1 Q07820 4/20 0.46
▸ CA12 O43570 4/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ AKR1B1 P15121 2/20 0.46
▸ CASP1 P29466 2/20 0.46

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
SCHEMBL3277376 0.79 GAA (0.49) GAAACHENPC1MGAMSI
SCHEMBL31708310 0.76 GAA (0.47) GAAACHENPC1MGAMSI
Ayapin SCHEMBL30171405 0.74 KDM4E (0.57) GAAACHENPC1MGAMSI
Ayapin SCHEMBL6694210 0.74 KDM4E (0.57) GAAACHENPC1MGAMSI
SCHEMBL6843275 0.74 KDM4E (0.57) GAAACHENPC1MGAMSI
SCHEMBL4744447 0.74 GAA (0.61) GAAACHENPC1MGAMSI
SCHEMBL17026637 0.73 MCL1 (0.46) GAAACHENPC1MGAMSI
SCHEMBL28994323 0.71 ALDH1A1 (0.59) GAAACHENPC1MGAMSI
SCHEMBL14105932 0.71 GAA (0.57) GAAACHENPC1MGAMSI
SCHEMBL23303231 0.70 GAA (0.47) GAAACHENPC1MGAMSI

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-2008102994-A1 COMPOSITION COMPRISING DECURSIN DERIVATIVE FOR TREATING AND PREVENTING ATOPIC DERMATITIS PARK YONG JIN (KR) 2008-08-28 — — WO disclosed
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