SCHEMBL27433809

SCHEMBL27433809

CC(CCc1cccc(NC(=O)OC(C)(C)C)c1O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
KCNA5 P22460 1/20 0.36
METAP1 P53582 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL7217624 0.84 NQO2 (0.41) NQO2RXFP1LMNAPOLBBRD9
SCHEMBL27660942 0.81 NQO2 (0.40) NQO2RXFP1LMNAPOLBBRD9
SCHEMBL28736190 0.81 NR1H4 (0.45) NQO2RXFP1LMNAPOLBBRD9
SCHEMBL6787623 0.80 CYP2D6 (0.46) NQO2CTSSCTSKLMNAPOLB
SCHEMBL27309736 0.80 CTSS (0.42) NQO2CTSSCTSKRXFP1LMNA
SCHEMBL6784474 0.77 MTNR1A (0.44) NQO2LMNAPOLB
SCHEMBL27983901 0.77 POLB (0.40) NQO2ALDH1A1RXFP1LMNAPOLB
SCHEMBL8664717 0.77 CXCL8 (0.43) RXFP1LMNAPOLBGPR139BRD9
SCHEMBL6785451 0.75 MTNR1A (0.45) NQO2
SCHEMBL23218723 0.74 NLRP3 (0.45) ALDH1A1RXFP1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128135-C Process for reducing alpha-aminoketones KANEKA CORP (JP) 2003-11-19 CN disclosed
CN-1228081-A Process for reducing alpha-aminoketones KANEKA CORP (JP) 1999-09-08 CN disclosed