SCHEMBL8917849

SCHEMBL8917849

N#Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
HIF1A Q16665 1/20 0.56
PARP10 Q53GL7 2/20 0.53
MMP2 P08253 1/20 0.51
F2 P00734 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
PARP15 Q460N3 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL3277145 0.95 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL13063635 0.95 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL16493478 0.91 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL1032753 0.90 PARP10 (0.59) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL4814349 0.90 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL29038955 0.88 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL8496209 0.88 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL13041595 0.88 MMP3 (0.59) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL5945234 0.88 MMP3 (0.59) ALDH1A1CYP1A2CYP2D6HIF1APARP10
SCHEMBL19704832 0.88 PARP10 (0.55) ALDH1A1CYP1A2CYP2D6HIF1APARP10

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
US-5644416-A LIQUID CRYSTAL POLYMER FILM FUJI XEROX CO., LTD. (JP) 1997-07-01 US disclosed