SCHEMBL13630964

SCHEMBL13630964

COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(-c2ccccc2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.41
KAT7 O95251 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
ACKR3 P25106 1/20 0.39
HPGDS O60760 1/20 0.38
SCN9A Q15858 1/20 0.37
HTR6 P50406 5/20 0.37
BCHE P06276 4/20 0.37
PRMT5 O14744 1/20 0.37
GABRA5 P31644 1/20 0.37
APLNR P35414 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
SCHEMBL13434478 0.91 USP30 (0.40) USP30KAT7KAT8ACKR3HPGDS
SCHEMBL13630930 0.87 SCN9A (0.40) USP30KAT7SCN9AHTR6BCHE
SCHEMBL13630941 0.87 SCN9A (0.40) USP30KAT7SCN9AHTR6BCHE
SCHEMBL13631124 0.85 SCN9A (0.38) USP30KAT7SCN9AHTR6BCHE
SCHEMBL13630929 0.84 SCN9A (0.38) USP30KAT7SCN9AHTR6BCHE
SCHEMBL13434468 0.84 REN (0.42) USP30SCN9A
SCHEMBL3488508 0.82 KDM4E (0.37)
SCHEMBL13434355 0.82 REN (0.40) USP30KAT7KAT8SCN9AAPLNR
SCHEMBL13434461 0.81 USP30 (0.49) USP30KAT7KAT8ACKR3HPGDS
SCHEMBL13434374 0.81 SCN9A (0.40) USP30KAT7SCN9A

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-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed