SCHEMBL3977773

SCHEMBL3977773

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
F2R P25116 1/20 0.42
CCR5 P51681 1/20 0.38
MT-CO2 P00403 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
REN P00797 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR2A P28223 1/20 0.34
CACNA1B Q00975 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 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
SCHEMBL23564597 0.85 POLB (0.40) CCR5MT-CO2MEN1KMT2AREN
SCHEMBL22308423 0.85 POLB (0.40) CCR5MT-CO2MEN1KMT2AREN
SCHEMBL6133868 0.83 DRD2 (0.46) MEN1KMT2ALMNA
SCHEMBL6133872 0.83 DRD2 (0.46) MEN1KMT2ALMNA
SCHEMBL23564596 0.82 ALDH1A1 (0.38) CCR5MT-CO2MEN1KMT2AGAA
SCHEMBL3972684 0.81 CCR5 (0.35) AOC3F2RCCR5MT-CO2MEN1
SCHEMBL4352299 0.80 AOC3 (0.53) AOC3F2RMT-CO2MEN1KMT2A
SCHEMBL2523360 0.78 AOC3 (0.47) AOC3F2RMT-CO2MEN1KMT2A
SCHEMBL6135470 0.78 ADRB3 (0.45)
SCHEMBL6135475 0.78 ADRB3 (0.45)

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