SCHEMBL8608294

SCHEMBL8608294

COc1c(C(C)(C)C)cc(C(=O)NC(C)CN)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
TNFRSF1A P19438 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.37
PDCD1LG2 Q9BQ51 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8606888 0.92 TAS1R3 (0.49) MAPK1TNFRSF1ATAS1R3TAS1R1ALDH1A1
SCHEMBL8608124 0.84 LMNA (0.45) MAPK1TNFRSF1AALDH1A1GAAALOX5
SCHEMBL8606758 0.83 TAS1R3 (0.51) MAPK1TAS1R3TAS1R1ALDH1A1GAA
SCHEMBL8607391 0.82 PDCD1LG2 (0.39) MAPK1ALDH1A1PDCD1LG2CD274
SCHEMBL8608652 0.81 ALDH1A1 (0.39) MAPK1TNFRSF1AALDH1A1KDM4EGAA
SCHEMBL8608424 0.80 PDCD1LG2 (0.38) MAPK1TNFRSF1ATAS1R3TAS1R1ALDH1A1
SCHEMBL8607167 0.80 CYP1A2 (0.41) MAPK1TAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL8608296 0.78 TNFRSF1A (0.41) MAPK1TNFRSF1AALDH1A1KDM4EGAA
SCHEMBL8606900 0.78 HSP90AA1 (0.49) ALDH1A1
SCHEMBL8606733 0.77 KMT2A (0.49) MAPK1TNFRSF1AALDH1A1KDM4EGAA

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