SCHEMBL2179040

SCHEMBL2179040

O=C(O)c1ccccc1-c1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
TYMS P04818 1/20 0.53
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 2/20 0.50
CASP6 P55212 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MYC P01106 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
FOLH1 Q04609 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL29908923 0.88 ALDH1A1 (0.59) HSD17B10TYMSALDH1A1L3MBTL1KDM4E
SCHEMBL18539204 0.88 NR4A1 (0.61) HSD17B10ALDH1A1L3MBTL1KDM4ENR4A1
SCHEMBL1933629 0.83 NR4A1 (0.44) HSD17B10TYMSALDH1A1L3MBTL1KDM4E
SCHEMBL1933830 0.82 KDM4E (0.51) HSD17B10TYMSALDH1A1L3MBTL1KDM4E
SCHEMBL30620175 0.82 ALDH1A1 (0.68) HSD17B10ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL1560856 0.82 MCL1 (0.52) HSD17B10TYMSALDH1A1L3MBTL1KDM4E
SCHEMBL2830888 0.82 ALDH1A1 (0.68) HSD17B10ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL1641502 0.81 NR4A1 (0.70) HSD17B10ALDH1A1KDM4ENR4A1NR4A2
SCHEMBL28552822 0.81 HSD17B10 (0.58) HSD17B10ALDH1A1KDM4EPOLBNR4A1
SCHEMBL4700698 0.80 HSD17B10 (0.55) HSD17B10TYMSALDH1A1L3MBTL1KDM4E

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
WO-2011081429-A2 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-07-07 WO disclosed
WO-2011081429-A2 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-07-07 WO disclosed