SCHEMBL22497743

SCHEMBL22497743

CC1(C)OB(c2ccc3c(c2)CCC3C=O)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 12/20 0.37
LPL P06858 11/20 0.37
BACE1 P56817 2/20 0.35
ROCK1 Q13464 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CSF1R P07333 1/20 0.33
P4HB P07237 1/20 0.33

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
SCHEMBL31394481 0.80 BACE1 (0.37) LIPGLPLBACE1ROCK1CA1
SCHEMBL24571000 0.79 DPP4 (0.33) LIPGLPLBACE1ROCK1
SCHEMBL12501640 0.79 LPL (0.38) LIPGLPLROCK1CA1CA2
SCHEMBL12299346 0.79 F11 (0.38) LIPGLPLROCK1CA1CA2
SCHEMBL17418921 0.79 F11 (0.38) LIPGLPLROCK1CA1CA2
SCHEMBL14712054 0.77 AKR1C3 (0.39) LIPGBACE1ROCK1CA1CA2
SCHEMBL22547333 0.77 PDPK1 (0.46) LIPGLPLROCK1CA1CA2
SCHEMBL12501638 0.76 F11 (0.38) LIPGLPLROCK1CA1CA2
SCHEMBL12501513 0.76 F11 (0.38) LIPGLPLROCK1CA1CA2
SCHEMBL15912452 0.75 LPL (0.37) LIPGLPLROCK1CA1CA2

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-2020200284-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUND AND USE OF SAME IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2020-10-08 WO disclosed