SCHEMBL8608296

SCHEMBL8608296

COc1c(C(C)(C)C)cc(C(=O)NCC(C)N)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KCNH2 Q12809 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GSK3B P49841 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL8606889 0.92 TAS1R3 (0.43) TNFRSF1AKMT2AMEN1KCNH2GAA
SCHEMBL8608126 0.84 LMNA (0.45) KMT2AGAAALDH1A1ALOX5PTGS1
SCHEMBL8606761 0.83 NR1H4 (0.49) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL8607392 0.82 PDCD1LG2 (0.39) NR1H4PDCD1LG2CD274
SCHEMBL8608655 0.81 KMT2A (0.43) KMT2AMEN1
SCHEMBL8606733 0.80 KMT2A (0.49) TNFRSF1AKMT2AMEN1GAAKDM4E
SCHEMBL8608427 0.80 PDCD1LG2 (0.38) TNFRSF1AKMT2AMEN1KDM4EALDH1A1
SCHEMBL8947133 0.80 KDM4E (0.62) TNFRSF1AKMT2AMEN1GAAKDM4E
SCHEMBL8607170 0.80 CYP1A2 (0.41) KMT2AGAAKDM4EALDH1A1ALOX5
SCHEMBL8607155 0.79 KMT2A (0.48) KMT2AMEN1GAA

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