SCHEMBL22306558

SCHEMBL22306558

Bc1ccc(CCNC(=O)OC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NQO2 P16083 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
LMNA P02545 3/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40
NAMPT P43490 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL15184496 0.85 KDM4A (0.43) TDP1CA1CA2LMNACA12
SCHEMBL19770197 0.83 HTT (0.44) HTTNPSR1NQO2TDP1MAPT
SCHEMBL30466794 0.82 HPGD (0.49) HTTNPSR1NQO2TDP1MAPT
SCHEMBL30466788 0.81 HTT (0.42) HTTNPSR1NQO2TDP1MAPT
SCHEMBL30466778 0.80 MALT1 (0.43) HTTNPSR1NQO2TDP1MAPT
SCHEMBL25746081 0.79 MAPT (0.41) HTTNPSR1NQO2TDP1MAPT
SCHEMBL22307372 0.77 NPSR1 (0.40) HTTNPSR1NQO2TDP1MAPT
SCHEMBL22290822 0.77 USP30 (0.44) HTTNPSR1NQO2TDP1MAPT
SCHEMBL21751228 0.77 DPP4 (0.46) HTTNPSR1NQO2MAPTLMNA
SCHEMBL6184762 0.75 NPC1 (0.56) HTTNQO2MAPTCA1CA2

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-2020160075-A1 CHEMICAL COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. (US) 2020-08-06 WO disclosed