SCHEMBL18290291

SCHEMBL18290291

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1CC(=O)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.47
▸ SOD1 P00441 1/20 0.43
▸ USP2 O75604 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ FDPS P14324 8/20 0.41
▸ GGPS1 O95749 3/20 0.41
▸ PTGES O14684 2/20 0.40
▸ PNLIP P16233 2/20 0.40
▸ CYP19A1 P11511 2/20 0.38
▸ BCL9 O00512 3/20 0.38
▸ CTNNB1 P35222 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38

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
Sugiol SCHEMBL1086916 0.80 SOD1 (0.58) KARS1SOD1USP2MEN1KMT2A
Sugiol SCHEMBL17407685 0.80 SOD1 (0.58) KARS1SOD1USP2MEN1KMT2A
Sugiol SCHEMBL28605319 0.80 SOD1 (0.58) KARS1SOD1USP2MEN1KMT2A
Ferruginol SCHEMBL5315022 0.72 KARS1 (0.73) KARS1USP2MEN1KMT2ACYP3A4
Ferruginol SCHEMBL155580 0.72 KARS1 (0.73) KARS1USP2MEN1KMT2ACYP3A4
Ferruginol SCHEMBL13423521 0.72 KARS1 (0.73) KARS1USP2MEN1KMT2ACYP3A4
SCHEMBL16006731 0.71 CYP19A1 (0.60) KARS1SOD1USP2MEN1KMT2A
SCHEMBL29637840 0.71 USP2 (0.50) KARS1SOD1USP2MEN1KMT2A
SCHEMBL18290243 0.70 SOD1 (0.45) KARS1SOD1USP2MEN1KMT2A
Sempervirol SCHEMBL10524413 0.70 KARS1 (0.66) KARS1USP2MEN1KMT2ACYP3A4

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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