SCHEMBL3229845

SCHEMBL3229845

C=CCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 2/20 0.47
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PARP10 Q53GL7 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LSS P48449 4/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5407527 0.92 L3MBTL1 (0.73) L3MBTL1ALDH1A1HTTGAAMAPT
SCHEMBL8152256 0.90 L3MBTL1 (0.67) L3MBTL1ALDH1A1HTTGAAMAPT
SCHEMBL10261955 0.89 L3MBTL1 (0.65) L3MBTL1ALDH1A1HTTGAATSHR
SCHEMBL8379458 0.89 L3MBTL1 (0.65) L3MBTL1ALDH1A1HTTGAATSHR
SCHEMBL9145010 0.85 L3MBTL1 (0.60) L3MBTL1ALDH1A1HTTGAATSHR
SCHEMBL3313611 0.84 ALDH1A1 (0.84) L3MBTL1ALDH1A1HTTMAPTPKM
SCHEMBL10954272 0.83 MAPT (0.59) L3MBTL1ALDH1A1GAAMAPTPKM
SCHEMBL711175 0.82 NPC1 (0.54) L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL10357909 0.82 L3MBTL1 (0.49) L3MBTL1ALDH1A1HTTGAAMAPT
SCHEMBL13806837 0.81 L3MBTL1 (0.59) L3MBTL1ALDH1A1HTTMAPTPARP10

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-2010026069-A2 FIBERS, SURFACE STRUCTURES AND POLYMER FILMS HAVING A REVERSIBLE SHAPE MEMORY BASF SE (DE) 2010-03-11 WO disclosed