SCHEMBL28740259

SCHEMBL28740259

O=C(O)C(=O)CCc1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.61
▸ LCK P06239 1/20 0.58
▸ APP P05067 2/20 0.57
▸ CYP19A1 P11511 1/20 0.57
▸ TYR P14679 1/20 0.57
▸ ALOX15 P16050 3/20 0.55
▸ IGF1R P08069 2/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ GAA P10253 3/20 0.55
▸ HIF1A Q16665 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ BLM P54132 3/20 0.55
▸ APEX1 P27695 2/20 0.55
▸ THPO P40225 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ PMP22 Q01453 2/20 0.55
▸ RGS12 O14924 1/20 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
Dihydrocaffeic Acid SCHEMBL245530 0.84 IAPP (0.65) IAPPLCKAPPCYP19A1TYR
Dihydrocaffeic Acid SCHEMBL7058919 0.84 IAPP (0.65) IAPPLCKAPPCYP19A1TYR
Dihydrocaffeic Acid SCHEMBL29351390 0.84 IAPP (0.65) IAPPLCKAPPCYP19A1TYR
SCHEMBL28165571 0.82 IAPP (0.82) IAPPLCKAPPCYP19A1TYR
SCHEMBL3383712 0.81 IAPP (0.57) IAPPLCKAPPCYP19A1TYR
SCHEMBL1331519 0.80 KDM4E (0.70) LCKALOX15IGF1RKDM4EMAPT
SCHEMBL29503757 0.80 KDM4E (0.70) LCKALOX15IGF1RKDM4EMAPT
SCHEMBL3182462 0.80 ALOX5 (0.70) GAATDP1LMNAPOLBTSHR
Didemethyltetrahydrocurcumin SCHEMBL6344877 0.78 IAPP (0.73) IAPPLCKAPPCYP19A1TYR
SCHEMBL925636 0.78 IAPP (0.62) IAPPLCKAPPCYP19A1TYR

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
CN-113679836-A Targeted ZIF-8-polydopamine prodrug nanoparticle and preparation method and application thereof 南通大学 2021-11-23 — — CN disclosed
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