SCHEMBL11296054

SCHEMBL11296054

CCCCCc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47
LIPG Q9Y5X9 1/20 0.46
GCGR P47871 2/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PPARA Q07869 2/20 0.43
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL9715333 0.98 DHFR (0.49) DHFRLIPGGCGRNR1H2NR1H3
Hydrogen Sulfide SCHEMBL27822882 0.97 DHFR (0.48) DHFRLIPGGCGRNR1H2NR1H3
SCHEMBL7707048 0.95 PDCD1 (0.44) DHFRLIPGGCGRNR1H2NR1H3
Bicarbonate SCHEMBL17473105 0.94 BID (0.49) LIPGGCGRNR1H2NR1H3PPARA
Hydrogen Sulfide SCHEMBL28757775 0.93 PDCD1 (0.43) DHFRLIPGGCGRNR1H2NR1H3
Bicarbonate SCHEMBL17473075 0.92 BID (0.51) LIPGNR1H2NR1H3PPARABID
SCHEMBL29190192 0.92 LIPG (0.47) DHFRLIPGGCGRNR1H2NR1H3
Phosphoric Acid SCHEMBL28234460 0.90 BID (0.46) DHFRLIPGNR1H2NR1H3PPARA
Bicarbonate SCHEMBL17473019 0.89 FOLH1 (0.44) PDCD1CD274PPARABIDMCL1
SCHEMBL9842487 0.87 PDCD1 (0.47) DHFRGCGRPDCD1CD274PPARA

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
CN-113659180-B Anion exchange membrane containing twisted aryl and ketone monomer, adhesive, preparation and application 中国科学院山西煤炭化学研究所 2022-11-25 CN disclosed
CN-113659180-A Anion exchange membrane containing twisted aryl and ketone monomer, adhesive, preparation and application 中国科学院山西煤炭化学研究所 2021-11-16 CN disclosed
EP-0008816-B1 LIQUID CRYSTAL DISPLAY DEVICE Koninklijke Philips Electronics N.V. (NL) 1982-05-05 EP disclosed