SCHEMBL29618895

SCHEMBL29618895

CC(C)(C)OC(=O)NCC(=O)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HCRTR2 O43614 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
SCHEMBL23366831 0.97 EPHX1 (0.51) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL923552 0.95 EPHX1 (0.54) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL9931314 0.93 KMT2A (0.50) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL27799448 0.85 KMT2A (0.45) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL23366889 0.85 KMT2A (0.45) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL745045 0.85 EPHX1 (0.54) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL29874054 0.84 BTK (0.43) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL23367354 0.84 BTK (0.43) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL3988278 0.81 EPHX1 (0.57) BTKKMT2AALDH1A1MEN1TSHR
SCHEMBL3763770 0.80 EPHX1 (0.60) BTKKMT2AALDH1A1MEN1TSHR

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-2022093820-A1 SUBSTITUTED MORPHOLINE COMPOUNDS GENENTECH, INC. (US) 2022-05-05 WO disclosed