SCHEMBL29565802

SCHEMBL29565802

CCN(CC)c1ccc(NC(=O)OCC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
GHSR Q92847 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
MCL1 Q07820 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NOX1 Q9Y5S8 2/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL8975005 0.84 MAPT (0.75) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10192028 0.81 SMN1; SMN2 (0.61) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2322638 0.81 SMN1; SMN2 (0.61) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13995026 0.80 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL6810771 0.80 SMN1; SMN2 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22550549 0.80 SMN1; SMN2 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL718381 0.80 SMN1; SMN2 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3042748 0.80 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AALDH1A1HPGDMAPK1
SCHEMBL8602983 0.79 LMNA (0.74) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL20718178 0.78 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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
US-11294306-B2 Recording medium and recording device TOSHIBA INFRASTRUCTURE SYSTEMS & SOLUTIONS CORPORATION (JP) 2022-04-05 US disclosed