SCHEMBL21612931

SCHEMBL21612931

CC1(C)CCCCOB(c2ccc3oc(C(=O)O)cc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.40
PIM2 Q9P1W9 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CSNK2A1 P68400 3/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A3 Q8NEV1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TBXAS1 P24557 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL23321023 0.86 BACE1 (0.31) PIM1
SCHEMBL28339887 0.81 PIM1 (0.51) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL15518178 0.72 LIPG (0.40)
SCHEMBL21612887 0.71 P4HB (0.49) THRBMAPK1KDM4E
SCHEMBL21612866 0.71 CA9 (0.36) LMNATP53ALDH1A1MAPK1HPGD
SCHEMBL23801191 0.70 HIF1A (0.41) ALDH1A1TSHRHPGDHSD17B10KDM4E
SCHEMBL21612932 0.70 PRKACA (0.33) TSHRMAPK1
SCHEMBL15518375 0.69 LPL (0.40)
SCHEMBL2960924 0.69 NPC1 (0.56) ALDH1A1TSHRMAPK1HPGDSMN1; SMN2
SCHEMBL21612867 0.69 CA1 (0.35)

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-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed