SCHEMBL18853856

SCHEMBL18853856

CCOC(=O)OCOc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.56
▸ ALOX15 P16050 5/20 0.53
▸ HPN P05981 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL5574398 0.84 VCAM1 (0.61) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042584 0.82 ALOX15 (0.68) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL18853854 0.80 VCAM1 (0.53) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5574203 0.78 VCAM1 (0.58) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL13609380 0.78 VCAM1 (0.63) VCAM1ALOX15HPNMAPTSIRT5
Camobucol SCHEMBL4734553 0.78 VCAM1 (0.70) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14586316 0.77 VCAM1 (0.55) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14598550 0.76 ALOX15 (0.54) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042598 0.76 ALOX15 (0.62) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14037559 0.75 VCAM1 (0.70) VCAM1ALOX15HPNMAPTSIRT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650332-B1 Prodrug of probucol and method for preparing the same WUHAN ZHONG YU YUMIN PHARMACEUTICAL TECHNOLOGY CO. LTD (CN) 2017-05-16 — — US disclosed
US-9650332-B1 Prodrug of probucol and method for preparing the same WUHAN ZHONG YU YUMIN PHARMACEUTICAL TECHNOLOGY CO. LTD (CN) 2017-05-16 — — US disclosed
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