SCHEMBL31344256

SCHEMBL31344256

CC(C)(C)CS(=O)(=O)OOC(=O)N1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 8/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 3/20 0.32
HSD11B1 P28845 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3631440 0.75 ALDH1A1 (0.41) HPGDNPC1MAPTHTTRAB9A
SCHEMBL18343858 0.73 ALDH1A1 (0.38) HPGDNPC1MAPTHTTRAB9A
SCHEMBL30273039 0.71 ALDH1A1 (0.38) HPGDNPC1MAPTHTTRAB9A
SCHEMBL18343883 0.70 ALDH1A1 (0.34) HPGDNPC1MAPTHTTRAB9A
SCHEMBL29126183 0.70 HPGD (0.49) HPGDNPC1MAPTHTTRAB9A
SCHEMBL22289285 0.69 ALDH1A1 (0.35) HPGDNPC1MAPTHTTRAB9A
SCHEMBL6756428 0.68 HTT (0.44) HPGDNPC1MAPTHTTRAB9A
SCHEMBL28595162 0.67 HPGD (0.46) HPGDNPC1MAPTHTTRAB9A
SCHEMBL879540 0.67 HPGD (0.50) HPGDNPC1MAPTHTTRAB9A
SCHEMBL28046275 0.66 ALDH1A1 (0.43) HPGDNPC1MAPTHTTRAB9A

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
CN-118984829-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2024-11-19 CN disclosed