SCHEMBL19190271

SCHEMBL19190271

CC(C)(C)OC(=O)N1C(O)CC[C@H]1Cc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.39
GRM2 Q14416 1/20 0.39
USP30 Q70CQ3 2/20 0.39
UCHL1 P09936 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.37
RORC P51449 1/20 0.37
RXRA P19793 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL1909822 0.88 USP30 (0.43) STSUSP30NR1H2NR1H3CETP
SCHEMBL22639146 0.86 GRM2 (0.41) GRM2TAAR1RORC
SCHEMBL14932460 0.81 GRM2 (0.41) STSGRM2USP30UCHL1SMN1; SMN2
SCHEMBL24428588 0.79 CHRM2 (0.40) SMN1; SMN2NR1H2NR1H3CETPRORC
SCHEMBL17986553 0.75 STS (0.39) STSGRM2SMN1; SMN2TAAR1TP53
SCHEMBL10251800 0.73 RIPK1 (0.38) SMN1; SMN2
SCHEMBL21268162 0.73 STS (0.36) STSSMN1; SMN2NR1H2NR1H3TP53
SCHEMBL17986554 0.73 STS (0.36) STSSMN1; SMN2NR1H2NR1H3TP53
SCHEMBL21268160 0.73 STS (0.36) STSSMN1; SMN2NR1H2NR1H3TP53
SCHEMBL16619599 0.73 STS (0.36) STSSMN1; SMN2NR1H2NR1H3TP53

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
EP-3199517-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2017-08-02 EP disclosed