SCHEMBL8911121

SCHEMBL8911121

CN(C(=O)OC(C)(C)C)C(C)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
USP30 Q70CQ3 2/20 0.39
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 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
SCHEMBL2949855 1.00 CYP2C9 (0.44) CYP2C9USP30PAX8MEN1RAB9A
SCHEMBL3594428 0.91 CYP2C19 (0.41) PAX8MEN1RAB9AKMT2ANPSR1
SCHEMBL7951407 0.82 SLC6A4 (0.40) MEN1RAB9AKMT2ANPSR1CTSS
SCHEMBL1691044 0.75 PAX8 (0.60) USP30PAX8MEN1RAB9AKMT2A
SCHEMBL16863750 0.75 CYP2C9 (0.41) CYP2C9USP30PAX8MEN1RAB9A
SCHEMBL8720981 0.73 MAPT (0.42) CYP2C9KDM4EUSP2ALDH1A1MAPT
SCHEMBL2460578 0.73 KMT2A (0.39) CYP2C9PAX8MEN1RAB9AKMT2A
SCHEMBL27221203 0.73 KMT2A (0.39) CYP2C9PAX8MEN1RAB9AKMT2A
SCHEMBL3621683 0.73 KMT2A (0.39) CYP2C9PAX8MEN1RAB9AKMT2A
SCHEMBL9728563 0.72 GBA1 (0.39) PAX8CTSSCTSKALDH1A1MAPT

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-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed