SCHEMBL9720836

SCHEMBL9720836

CCS(=O)(=O)c1ccc(C=Cc2ccc(C=Cc3ccccc3C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.43
RORC P51449 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.37
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
F2R P25116 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
KCNH2 Q12809 2/20 0.35
SNCA P37840 1/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
CHAT P28329 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL9720835 1.00 PSIP1 (0.43) PSIP1RORCALDH1A1GAANR1H3
SCHEMBL9720782 0.85 PTGS2 (0.42) ALDH1A1NR1H3HTTHTR2AHTR2C
SCHEMBL9720778 0.85 PTGS2 (0.42) ALDH1A1NR1H3HTTHTR2AHTR2C
SCHEMBL29392092 0.81 NR1H3 (0.44) NR1H3
SCHEMBL21574808 0.81 NR1H3 (0.44) NR1H3
SCHEMBL553822 0.81 NR1H3 (0.44) NR1H3
SCHEMBL553823 0.81 NR1H3 (0.44) NR1H3
SCHEMBL11486051 0.78 NFE2L2 (0.48) ALDH1A1NR1H3PRKCQ
SCHEMBL11486049 0.78 NFE2L2 (0.48) ALDH1A1NR1H3PRKCQ
SCHEMBL9720689 0.78 PSIP1 (0.56) PSIP1ALDH1A1GAAMEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5152922-A 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1992-10-06 US claimed
EP-0252009-B1 1,4-DISTYRYL BENZENE COMPOUNDS AND THEIR MIXTURES WITH OTHER 1,4-DISTYRYL BENZENE COMPOUNDS CIBA-GEIGY AG (CH) 1990-08-01 EP claimed
US-5152922-A 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed