SCHEMBL3972684

SCHEMBL3972684

CC(C)(C)OC(=O)N(CC(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.35
MT-CO2 P00403 1/20 0.34
UTS2R Q9UKP6 4/20 0.33
CNR1 P21554 3/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33
AOC3 Q16853 1/20 0.32
C5AR1 P21730 1/20 0.31
HTR2A P28223 1/20 0.31
CACNA1B Q00975 1/20 0.31
NR1D1 P20393 1/20 0.31
F2R P25116 1/20 0.31

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
SCHEMBL3977773 0.81 AOC3 (0.43) CCR5MT-CO2CNR1ATMMEN1
SCHEMBL22308423 0.79 POLB (0.40) CCR5MT-CO2ATMMEN1KMT2A
SCHEMBL23564597 0.79 POLB (0.40) CCR5MT-CO2ATMMEN1KMT2A
SCHEMBL23564596 0.76 ALDH1A1 (0.38) CCR5MT-CO2MEN1KMT2AHTR2A
SCHEMBL20660957 0.75 AOC3 (0.40) UTS2RMEN1KMT2AAOC3
SCHEMBL3972679 0.74 MT-CO2 (0.34) MT-CO2CNR1ATMMEN1KMT2A
SCHEMBL6435807 0.72 APP (0.32)
SCHEMBL6435801 0.72 APP (0.32)
SCHEMBL18704218 0.71 FFAR1 (0.36) UTS2RMEN1KMT2AAOC3
SCHEMBL18704217 0.71 FFAR1 (0.36) UTS2RMEN1KMT2AAOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed