SCHEMBL18173552

SCHEMBL18173552

CC(C)(C)N1CCC[C@H](OS(C)(=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
HSD11B1 P28845 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
SCHEMBL14941417 1.00 ATM (0.36) ATMHSD11B1
SCHEMBL4532348 0.89 ATM (0.38) ATM
SCHEMBL3655700 0.89 ATM (0.38) ATM
SCHEMBL30181786 0.86 HRH3 (0.34) HSD11B1
SCHEMBL320728 0.81 ATM (0.47) ATM
SCHEMBL1440281 0.78 HRH3 (0.35) ATM
SCHEMBL23175194 0.77 SMN1; SMN2 (0.46) ATM
SCHEMBL3749371 0.77 SMN1; SMN2 (0.46) ATM
SCHEMBL5743611 0.76 CYP2D6 (0.39) ATM
SCHEMBL24777623 0.76 ATM (0.37) ATMHSD11B1

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
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO disclosed