SCHEMBL28066233

SCHEMBL28066233

CCc1ncnc(Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
LTB4R Q15722 1/20 0.47
TAAR1 Q96RJ0 4/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP2D6 P10635 1/20 0.46
PDE5A O76074 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4661709 0.81 TAAR1 (0.49) ALDH1A1HSD17B10TAAR1SLC6A4SLC6A2
SCHEMBL6942607 0.81 CYP3A4 (0.45) ALDH1A1HSD17B10LTB4RTAAR1SLC6A4
SCHEMBL6946706 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10HSP90AA1LTB4RTAAR1
SCHEMBL3283994 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10HSP90AA1HSP90AB1LTB4R
SCHEMBL6942102 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10LTB4RTAAR1SLC6A4
SCHEMBL6945057 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10HSP90AA1HSP90AB1LTB4R
SCHEMBL92784 0.75 TAAR1 (0.60) ALDH1A1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL109195 0.75 TAAR1 (0.64) ALDH1A1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL6945769 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10LTB4RTAAR1SLC6A4
SCHEMBL6942147 0.74 CALM1 (0.49) ALDH1A1HSD17B10LTB4RTAAR1SLC6A4

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
CN-102566268-B Photosensitive polymer combination for sept forms, with the display unit sept of its manufacture and possess the display unit of this sept TONGWOO FINE CHEMICALS CO., LTD. (KR) 2016-05-18 CN disclosed