SCHEMBL18290199

SCHEMBL18290199

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@]3(CO3)C1C=C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.40
▸ SOD1 P00441 1/20 0.39
▸ FDPS P14324 1/20 0.32
▸ CYP19A1 P11511 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16006769 0.85 KARS1 (0.43) KARS1SOD1FDPSCYP19A1HSP90AA1
SCHEMBL18290211 0.81 SOD1 (0.53) KARS1SOD1FDPSMEN1USP2
SCHEMBL18290223 0.68 SOD1 (0.34) KARS1SOD1FDPS
SCHEMBL18290357 0.66 FDPS (0.46) FDPSKDM4EMEN1USP2TP53
SCHEMBL29934500 0.66 SOD1 (0.52) KARS1SOD1FDPSCYP19A1HSP90AA1
SCHEMBL8014515 0.64 RXRA (0.49) KARS1SOD1TP53CYP3A4MAPT
SCHEMBL18290204 0.63 POLB (0.30) —
SCHEMBL18290294 0.62 SOD1 (0.43) KARS1SOD1FDPS
SCHEMBL18290291 0.62 KARS1 (0.47) KARS1SOD1FDPSCYP19A1HSP90AA1
SCHEMBL18290302 0.61 SOD1 (0.47) KARS1SOD1FDPSCYP19A1MEN1

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
Send feedback