SCHEMBL9750046

SCHEMBL9750046

COC(=O)C(C(=O)OC)C(C=C(c1ccc(C)cc1)c1ccc(N(C)C)cc1)C=C(c1ccc(C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
MAPT P10636 8/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 5/20 0.44
NPC1 O15118 5/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 5/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9749589 0.89 RAB9A (0.50) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9750115 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9750389 0.88 MAOB (0.50) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9750108 0.80 MAOB (0.47) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9838206 0.78 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9749954 0.74 MAPT (0.45) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9839519 0.73 RAB9A (0.54) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9839717 0.71 HDAC3 (0.43) ALDH1A1KDM4EHPGDHTTPOLB
Toluene SCHEMBL8654042 0.70 KMT2A (0.42) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9839736 0.70 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed