SCHEMBL21396941

SCHEMBL21396941

O=C(CCC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
NR4A2 P43354 1/20 0.57
EPHX2 P34913 1/20 0.55
MAPK1 P28482 3/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.52
HDAC1 Q13547 2/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC3 O15379 1/20 0.52

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
SCHEMBL8775857 0.85 TBXAS1 (0.63) L3MBTL1LMNAEPHX2HPGDSMN1; SMN2
SCHEMBL3079690 0.84 TDP1 (0.53) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL27913389 0.82 L3MBTL1 (0.52) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL11661425 0.82 TDP1 (0.52) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL9066704 0.81 LMNA (0.50) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL8494351 0.80 MTNR1A (0.52) LMNAEPHX2MAPK1MTNR1AMTNR1B
SCHEMBL3674189 0.80 CYP2D6 (0.54) NR4A2EPHX2MAPK1KDM4ECYP3A4
SCHEMBL28053808 0.80 MAPT (0.48) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL30121738 0.79 NR4A2 (0.85) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL719034 0.79 NR4A2 (0.85) TDP1L3MBTL1MAPTLMNANR4A2

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
WO-2019179460-A1 RADIATION-CURABLE GRAVURE INK 常州格林感光新材料有限公司 2019-09-26 WO disclosed