SCHEMBL21612947

SCHEMBL21612947

CC(=O)Nc1sc(C)c(C)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MAPT P10636 6/20 0.58
ABCC1 P33527 3/20 0.58
POLB P06746 3/20 0.58
GRIN2C Q14957 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AIP O00170 1/20 0.46

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
Cyclohexane SCHEMBL7825607 0.95 ABCC1 (0.57) ALDH1A1MAPTABCC1POLBGRIN2C
SCHEMBL11324603 0.83 AIP (0.66) ALDH1A1MAPTPOLBGRIN2CL3MBTL1
SCHEMBL2807303 0.83 ALDH1A1 (0.60) ALDH1A1MAPTABCC1POLBGRIN2C
SCHEMBL8290785 0.81 ALDH1A1 (0.58) ALDH1A1MAPTABCC1POLBKMT2A
SCHEMBL23413214 0.80 GRIN2C (0.58) ALDH1A1MAPTABCC1POLBGRIN2C
SCHEMBL5851124 0.80 ALDH1A1 (0.78) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL3745498 0.78 ABCC1 (0.51) ALDH1A1MAPTABCC1POLBGRIN2C
SCHEMBL11356974 0.78 ALDH1A1 (0.75) ALDH1A1MAPTPOLBKMT2ANPC1
SCHEMBL9100005 0.76 GRIN2C (0.55) ALDH1A1MAPTABCC1POLBGRIN2C
SCHEMBL21616114 0.76 ALDH1A1 (0.64) ALDH1A1MAPTPOLBKMT2ANPC1

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