SCHEMBL16082149

SCHEMBL16082149

C=C(NCC(=O)OC)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TET2 Q6N021 1/20 0.47
RECQL P46063 1/20 0.45
DGAT1 O75907 1/20 0.39
TSHR P16473 5/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
BIRC2 Q13490 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
SCHEMBL23396320 0.83 TDP1 (0.35) CA12CA2CA14DGAT1GAA
SCHEMBL8470431 0.80 TET2 (0.48) CA12CA2CA14TET2RECQL
SCHEMBL523837 0.78 CA2 (0.59) CA12CA2CA14TET2RECQL
SCHEMBL17690249 0.77 EGLN1 (0.37) RECQLDGAT1HSD17B10GAAKDM4E
SCHEMBL19710068 0.76 MAOA (0.43) RECQLTDP1MAOAMAOB
SCHEMBL7433191 0.74 CA12 (0.50) CA12CA2CA14TET2RECQL
SCHEMBL14313618 0.73 MAOA (0.33) MAOAMAOB
SCHEMBL11566314 0.72 CA12 (0.53) CA12CA2CA14TET2RECQL
SCHEMBL13407460 0.72 TET2 (0.44) CA12CA2CA14TET2RECQL
SCHEMBL3467656 0.72 CA12 (0.53) CA12CA2CA14TET2RECQL

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-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed