SCHEMBL11171908

SCHEMBL11171908

CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(=O)c2ccccc2)O[C@H]1COC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 3/20 0.51
CA12 O43570 6/20 0.48
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA4 P22748 6/20 0.48
CA5A P35218 6/20 0.48
CA7 P43166 6/20 0.48
CA5B Q9Y2D0 6/20 0.48
PTPN1 P18031 2/20 0.47
CA6 P23280 4/20 0.46
CA9 Q16790 4/20 0.46
CA13 Q8N1Q1 4/20 0.46
CA14 Q9ULX7 4/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL13871578 0.90 TSHR (0.55) TSHRKMT2APOLBMEN1USP2
SCHEMBL13871572 0.90 PTPN1 (0.58) TSHRKMT2APOLBMEN1USP2
SCHEMBL4849836 0.90 PTPN1 (0.58) TSHRKMT2APOLBMEN1USP2
SCHEMBL5981979 0.90 PTPN1 (0.61) TSHRKMT2APOLBMEN1USP2
SCHEMBL14263475 0.90 PTPN1 (0.58) TSHRKMT2APOLBMEN1USP2
SCHEMBL5982658 0.90 PTPN1 (0.61) TSHRKMT2APOLBMEN1USP2
SCHEMBL8829597 0.90 PTPN1 (0.58) TSHRKMT2APOLBMEN1USP2
SCHEMBL4849838 0.90 PTPN1 (0.58) TSHRKMT2APOLBMEN1USP2
SCHEMBL22022507 0.90 PTPN1 (0.58) TSHRKMT2APOLBMEN1USP2
SCHEMBL5981982 0.90 PTPN1 (0.61) TSHRKMT2APOLBMEN1USP2

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-4378369-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-03-29 US disclosed