SCHEMBL8607707

SCHEMBL8607707

CC(N)CNC(=O)Cc1cccc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
P2RX7 Q99572 7/20 0.36
GPR119 Q8TDV5 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HPGD P15428 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL8608448 0.87 GAA (0.40) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL8609718 0.84 NPC1 (0.42) P2RX7GPR119ALDH1A1HPGD
SCHEMBL8608821 0.81 CA2 (0.43) CA2GABRA1GABRB2P2RX7ATM
SCHEMBL8606505 0.81 NR5A2 (0.41) ALDH1A1
SCHEMBL8606819 0.81 HSPA5 (0.50) CA2ALDH1A1HPGD
SCHEMBL8608258 0.80 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1
SCHEMBL8607704 0.79 CA2 (0.41) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL8607712 0.79 CA2 (0.51) CA2GABRA1GABRB2ATMANO1
SCHEMBL8606835 0.77 GAA (0.50) ATMALDH1A1HPGD
SCHEMBL8608864 0.76 GAA (0.36) CA2ALDH1A1HPGD

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
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed