SCHEMBL9845705

SCHEMBL9845705

CCOc1ccc2c(c1)C(C)=CC(C)(C)N2c1c(C)ccc(C)c1N1c2ccc(OCC)cc2C(C)=CC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 10/20 0.57
KDM4E B2RXH2 8/20 0.57
ALOX12 P18054 6/20 0.57
HTT P42858 6/20 0.57
GAA P10253 4/20 0.57
HSD17B10 Q99714 3/20 0.57
TSHR P16473 1/20 0.57
CASP1 P29466 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
MAPK1 P28482 2/20 0.54
PLIN1 O60240 1/20 0.54
RAB9A P51151 1/20 0.54
PLIN5 Q00G26 1/20 0.54
ABHD5 Q8WTS1 1/20 0.54
HPGD P15428 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
THRB P10828 2/20 0.53
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49

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
SCHEMBL9159092 0.86 L3MBTL1 (0.58) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL29838742 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL26503069 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL502323 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL9159717 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL11589918 0.78 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL9158409 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL31696364 0.77 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL25204645 0.76 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL11332800 0.75 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EALOX12HTT

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
EP-0448843-A1 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1991-10-02 EP disclosed