SCHEMBL27486346

SCHEMBL27486346

C[C@H](N)C(=O)Oc1ccc(O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.41
CA2 P00918 3/20 0.39
CA1 P00915 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
ELANE P08246 1/20 0.38
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL11068943 0.87 PPARG (0.41) ELANEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7318571 0.87 PPARG (0.41) ELANEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL242554 0.85 CA2 (0.42) CA2CA1ELANEGAAXBP1
SCHEMBL11239814 0.83 MAPT (0.43) TSHRHSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL8895329 0.81 TTR (0.38) THRBELANEL3MBTL1TSHRHSD17B10
SCHEMBL10682926 0.81 TDP1 (0.41) NR1H4THRATHRBL3MBTL1TSHR
SCHEMBL27590184 0.81 GAA (0.44) NR1H4CA2CA1THRATHRB
SCHEMBL27497673 0.81 TAS1R3 (0.47) CYP2D6ALDH1A1LMNAMAPT
SCHEMBL9413246 0.79 SLC22A6 (0.47) GAANPSR1TSHRNFKB1ALDH1A1
SCHEMBL3717795 0.79 ALDH1A1 (0.47) CA2CA1THRATHRBGAA

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
CN-1165337-C Synthetic cryptophycins ���Ĵ���ѧ 2004-09-08 CN disclosed
CN-1183726-A Synthetic cryptophycins UNIV HAWAII (US) 1998-06-03 CN disclosed