SCHEMBL8609754

SCHEMBL8609754

CC(CN)NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.55
NR5A1 Q13285 1/20 0.55
ALOX5 P09917 4/20 0.38
PTGS2 P35354 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLG P00747 2/20 0.36
KLK1 P06870 2/20 0.36
KLK6 Q92876 2/20 0.36
KLKB1 P03952 1/20 0.36
GAA P10253 3/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
HMGCR P04035 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
SCHEMBL8608134 0.86 SMN1; SMN2 (0.45) NR5A2NR5A1PTGS2CYP2C9CYP2C19
SCHEMBL10577013 0.81 NR5A2 (0.65) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL8608253 0.81 CA2 (0.44) ALOX5PDCD1LG2CD274
SCHEMBL8608124 0.80 LMNA (0.45) ALOX5PTGS2GAAALDH1A1TDP1
SCHEMBL8606502 0.79 NR5A2 (0.39) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL8605765 0.79 GAA (0.35) NR5A2NR5A1ALOX5CYP1A2CYP2C9
SCHEMBL8609755 0.78 NR5A2 (0.62) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL5058222 0.78 NR5A2 (0.65) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL8607738 0.78 NR5A2 (0.73) NR5A2NR5A1ALOX5PTGS2PLG
SCHEMBL9492845 0.78 NR5A2 (0.64) NR5A2NR5A1ALOX5PTGS2CYP1A2

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