SCHEMBL8607704

SCHEMBL8607704

CC(CN)NC(=O)Cc1cccc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ANO1 Q5XXA6 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8609717 0.84 NR1H4 (0.41) POLBALDH1A1MEN1KMT2A
SCHEMBL8606817 0.81 HSPA5 (0.50) CA2POLBALDH1A1ANO1CYP1A2
SCHEMBL8606502 0.81 NR5A2 (0.39) ALDH1A1ANO1CYP1A2KMT2ANPSR1
SCHEMBL8608253 0.80 CA2 (0.44) CA2GABRA1GABRB2POLBKDM4E
SCHEMBL8607707 0.79 CA2 (0.41) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL8608821 0.78 CA2 (0.43) CA2GABRA1GABRB2POLBKDM4E
SCHEMBL8606831 0.77 GAA (0.50) POLBATMALDH1A1MEN1CYP1A2
SCHEMBL8607712 0.76 CA2 (0.51) CA2GABRA1GABRB2ATMANO1
SCHEMBL8608862 0.76 GAA (0.36) CA2POLBALDH1A1CYP1A2KMT2A
SCHEMBL8607715 0.75 CA2 (0.42) CA2GABRA1GABRB2ATMALDH1A1

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