SCHEMBL18290214

SCHEMBL18290214

CCOc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)[C@@H](O)CC[C@@]12C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.32
▸ HNF4A P41235 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SOD1 P00441 1/20 0.31
▸ ACHE P22303 1/20 0.30

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
SCHEMBL18290354 0.84 SOD1 (0.41) MAPTSOD1
SCHEMBL18290203 0.78 CACNA1G (0.32) —
SCHEMBL18290216 0.65 HNF4A (0.32) RXRAHNF4A
SCHEMBL17403057 0.64 CACNA1G (0.44) MAPTSOD1ACHE
SCHEMBL18290213 0.62 SOD1 (0.41) MAPTSOD1
SCHEMBL19915505 0.57 SLC10A2 (0.34) ALDH1A1MAPT
Salvinolone SCHEMBL29931087 0.55 FDPS (0.45) KDM4EALDH1A1MAPT
SCHEMBL26030950 0.54 TSHR (0.53) RXRAALDH1A1MAPT
SCHEMBL2625747 0.54 LMNA (0.47) ALDH1A1MAPTHTT
SCHEMBL16499589 0.54 SOD1 (0.43) ALDH1A1MAPTSOD1

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-2016192631-A1 ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed
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