SCHEMBL28366291

SCHEMBL28366291

C=Cc1ccc2cc3cc(C=C)ccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 1/20 0.41
RELA Q04206 1/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYMS P04818 1/20 0.35
PTGS1 P23219 1/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29434184 0.94 ALDH1A1 (0.59) ALDH1A1TDP1TP53RELATSHR
SCHEMBL2097335 0.94 ALDH1A1 (0.59) ALDH1A1TDP1TP53RELATSHR
SCHEMBL30464086 0.93 RELA (0.50) ALDH1A1TDP1TP53RELATSHR
SCHEMBL2701546 0.93 RELA (0.50) ALDH1A1TDP1TP53RELATSHR
SCHEMBL1167373 0.93 RELA (0.50) ALDH1A1TDP1TP53RELATSHR
SCHEMBL1264213 0.93 RELA (0.50) ALDH1A1TDP1TP53RELATSHR
SCHEMBL2098638 0.92 ALDH1A1 (0.56) ALDH1A1TDP1TP53RELATSHR
SCHEMBL29434157 0.92 ALDH1A1 (0.56) ALDH1A1TDP1TP53RELATSHR
Anthracene SCHEMBL28663344 0.87 RELA (0.56) ALDH1A1TDP1TP53RELATSHR
SCHEMBL15946480 0.85 TRPA1 (0.47) ALDH1A1TDP1TP53RELATRPA1

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
CN-110752296-B Method for preparing top contact source and drain electrodes in OFET (organic field effect transistor) by solution method 中国科学院化学研究所 2022-02-25 CN disclosed
CN-110752296-A Method for preparing top contact source and drain electrodes in OFET (organic field effect transistor) by solution method 中国科学院化学研究所 2020-02-04 CN disclosed