SCHEMBL17664765

SCHEMBL17664765

Cc1ccc(COc2cccc(C)c2C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
MAOA P21397 1/20 0.52
MAPT P10636 6/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.42

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
SCHEMBL15125899 0.95 RXRA (0.50) MAOBMAOAMAPTL3MBTL1LMNA
SCHEMBL2579088 0.89 MAPT (0.59) MAOBMAOAMAPTL3MBTL1SMN1; SMN2
SCHEMBL21798467 0.84 RXRA (0.70) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL19543235 0.82 RXRA (0.52) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL21798491 0.82 RAB9A (0.72) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL13812603 0.78 ALDH1A1 (0.43) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL7606605 0.78 RXRA (0.65) MAOBMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL9691233 0.78 ALDH1A1 (0.59) MAOBMAOAMAPTL3MBTL1LMNA
SCHEMBL29227142 0.77 NPC1 (0.79) MAOBMAOAMAPTL3MBTL1LMNA
SCHEMBL3923636 0.76 MAPT (0.66) MAOBMAOAMAPTL3MBTL1SMN1; SMN2

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-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed