SCHEMBL3702385

SCHEMBL3702385

CC(C)CNc1ccc(CCC(C)NC(=O)O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
SLC22A1 O15245 1/20 0.40
CA12 O43570 1/20 0.40
EGFR P00533 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CA3 P07451 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL3702387 1.00 KMT2A (0.41) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL743006 0.85 KMT2A (0.38) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL743007 0.85 KMT2A (0.38) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL1810822 0.84 ATM (0.39) KMT2AMEN1HTTGAALMNA
SCHEMBL752690 0.79 MAPK1 (0.37) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL752689 0.79 MAPK1 (0.37) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL3639332 0.79 KMT2A (0.45) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL3639331 0.79 KMT2A (0.45) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL2712266 0.79 LIPG (0.49) KMT2ASMN1; SMN2MEN1HTTHPGD
SCHEMBL2712262 0.79 LIPG (0.49) KMT2ASMN1; SMN2MEN1HTTHPGD

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-2010077317-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed