SCHEMBL31073370

SCHEMBL31073370

Cc1sc(Br)cc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.35
LCK P06239 1/20 0.33
EGFR P00533 1/20 0.33
CISD2 Q8N5K1 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GSK3B P49841 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL5411654 0.81 GRM6 (0.40) GRM6EGFRCISD2ALDH1A1MEN1
SCHEMBL168008 0.80 MAPT (0.40) NPSR1ALDH1A1MEN1KMT2ACA12
SCHEMBL20263505 0.79 NPC1 (0.39) GRM6LCKCISD2CYP2C9CYP2C19
SCHEMBL20269597 0.77 GAA (0.49) CYP2C9CYP2C19ALDH1A1MEN1NPC1
SCHEMBL365155 0.74 DAO (0.42) LCKALDH1A1GSK3BMEN1NPC1
SCHEMBL13171452 0.74 CA12 (0.39) LCKEGFRCYP2C9CYP2C19NPSR1
SCHEMBL5425234 0.73 KDM4E (0.36) CYP2C9CYP2C19NPSR1ALDH1A1NPC1
SCHEMBL828580 0.72 EGFR (0.41) EGFRCYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL20263529 0.72 GSK3B (0.40) GRM6LCKEGFRCISD2CYP2C9
SCHEMBL22774665 0.72 LCK (0.43) LCKCA12CA1CA2CA9

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed