SCHEMBL3267023

SCHEMBL3267023

COC(=O)CNC(C)(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 6/20 0.39
HSD17B10 Q99714 3/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
BIRC2 Q13490 1/20 0.35
KDM4E B2RXH2 2/20 0.34
EPHX2 P34913 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3249192 0.83 CA12 (0.35) CA12CA2CA14GAAEPHX2
SCHEMBL15450547 0.78 TET2 (0.39) TET2RECQLTSHRHSD17B10CA12
SCHEMBL13028087 0.78 TET2 (0.39) TET2RECQLTSHRHSD17B10CA12
SCHEMBL21129653 0.77 TET2 (0.46) TET2RECQLTSHRHSD17B10CA12
SCHEMBL757885 0.77 TET2 (0.50) TET2RECQLTSHRHSD17B10CA12
Hydrochloric Acid SCHEMBL344744 0.75 TET2 (0.48) TET2RECQLTSHRHSD17B10CA12
SCHEMBL14813178 0.74
SCHEMBL16532927 0.73 TET2 (0.46) TET2RECQLTSHRHSD17B10CA12
SCHEMBL17125032 0.71 TET2 (0.45) TET2RECQLTSHRHSD17B10CA12
SCHEMBL15621164 0.71 TET2 (0.45) TET2RECQLTSHRHSD17B10CA12

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-20120003888-A1 BIOADHESIVE CONSTRUCTS WITH POLYMER BLENDS KNC NER ACQUISITION SUB, INC. (US) 2012-01-05 US disclosed