SCHEMBL28629392

SCHEMBL28629392

[Li]c1ccc(C(C)(C)CC)cc1-c1cccc(C(C)(C)CC)c1OCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPSR1 Q6W5P4 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
UBE2N P61088 2/20 0.34
MITF O75030 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL30423765 0.82 MAPK1 (0.38) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22320312 0.82 MAPK1 (0.38) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL28629390 0.77 MAPK1 (0.33) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22334484 0.73 MAPK1 (0.39) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22356571 0.73 MAPK1 (0.38) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22320329 0.72 MAPK1 (0.38) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL27504574 0.66 KCNN4 (0.39) MAPK1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL30423244 0.65 RXRA (0.36) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL22320302 0.65 RXRA (0.36) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL30423181 0.63 EGFR (0.34) MAPK1SMN1; SMN2RAB9ANPC1LMNA

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
CN-113423742-A Bis (arylphenolate) lewis base catalysts and processes thereof 埃克森美孚化学专利公司 2021-09-21 CN disclosed