SCHEMBL14925857

SCHEMBL14925857

O=C1c2cc(-c3ccc4ccccc4c3)ccc2CCc2ccc(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CES1 P23141 1/20 0.44
ALOX5 P09917 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
SCHEMBL10045918 0.87 TDP1 (0.44) GSTP1L3MBTL1TDP1LMNACYP1A2
SCHEMBL27874725 0.85 MAOA (0.58) GSTP1L3MBTL1TDP1MAOBCA1
SCHEMBL18545980 0.84 PBRM1 (0.42) GSTP1L3MBTL1TDP1MAOBCA1
SCHEMBL10045704 0.83 TYRO3 (0.56) L3MBTL1TDP1MAOBLMNAALDH1A1
SCHEMBL10045703 0.83 TYRO3 (0.56) L3MBTL1TDP1MAOBLMNAALDH1A1
SCHEMBL13414968 0.81 GSTP1 (0.61) GSTP1L3MBTL1MAOBCA1CA2
SCHEMBL15842961 0.81 GSTP1 (0.61) GSTP1L3MBTL1TDP1MAOBCA1
SCHEMBL26503487 0.81 GSTP1 (0.61) GSTP1L3MBTL1MAOBCA1CA2
SCHEMBL10045920 0.81 TYRO3 (0.41) L3MBTL1TDP1MAOBCA1CA2
SCHEMBL10045664 0.80 CLK4 (0.53) L3MBTL1TDP1MAOBLMNAALDH1A1

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-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed