SCHEMBL9821162

SCHEMBL9821162

CCOC(=O)COC(=O)CN1CCCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GSK3B P49841 2/20 0.41
PRKCA P17252 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GSK3A P49840 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ELANE P08246 1/20 0.38
CYP2D6 P10635 1/20 0.37
SOAT2 O75908 1/20 0.37
SOAT1 P35610 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
SCHEMBL9821321 0.94 TSHR (0.50) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL6495319 0.94 TSHR (0.49) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL6528311 0.93 TSHR (0.50) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL668453 0.88 TSHR (0.56) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL3939476 0.82 TSHR (0.46) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL9708708 0.81 GSK3A (0.49) TSHRGSK3BKMT2ALMNAALDH1A1
SCHEMBL11512914 0.80 GAA (0.43) TSHRADRA1DADRA1AADRA1BKMT2A
SCHEMBL11284225 0.79 ALDH1A1 (0.46) TSHRKMT2ALMNAALDH1A1GAA
SCHEMBL12717220 0.79 ALDH1A1 (0.46) TSHRKMT2ALMNAALDH1A1GAA
SCHEMBL31632727 0.78 GAA (0.49) TSHRADRA1DADRA1AADRA1BPRKCA

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-5021568-A Lactam-1-acetic acid carbalkoxymethyl esters and method for preparing same SHIPOV ALEXANDR G (SU) 1991-06-04 US disclosed