SCHEMBL29528293

SCHEMBL29528293

Oc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.[Na]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.57
KDM4E B2RXH2 1/20 0.49
PTPN1 P18031 1/20 0.43
HNF4A P41235 1/20 0.43
NFE2L2 Q16236 3/20 0.42
AHR P35869 1/20 0.41
TTR P02766 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
CHAT P28329 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL41526 0.98 TRPA1 (0.59) TRPA1KDM4EPTPN1HNF4ANFE2L2
SCHEMBL41525 0.98 TRPA1 (0.59) TRPA1KDM4EPTPN1HNF4ANFE2L2
SCHEMBL29360472 0.98 TRPA1 (0.59) TRPA1KDM4EPTPN1HNF4ANFE2L2
Ammonia Solution, Strong SCHEMBL7940805 0.96 TRPA1 (0.57) TRPA1KDM4EPTPN1HNF4ANFE2L2
Ammonia Solution, Strong SCHEMBL7940803 0.96 TRPA1 (0.57) TRPA1KDM4EPTPN1HNF4ANFE2L2
Potassium SCHEMBL30366900 0.96 TRPA1 (0.57) TRPA1KDM4EPTPN1HNF4ANFE2L2
SCHEMBL28382096 0.96 TRPA1 (0.57) TRPA1KDM4EPTPN1HNF4ANFE2L2
Formaldehyde SCHEMBL28642478 0.93 TRPA1 (0.53) TRPA1KDM4EPTPN1HNF4ANFE2L2
Sulfuric Acid SCHEMBL1323877 0.91 TRPA1 (0.52) TRPA1KDM4EPTPN1HNF4ANFE2L2
Sulfuric Acid SCHEMBL334594 0.91 TRPA1 (0.52) TRPA1KDM4EPTPN1HNF4ANFE2L2

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
CN-112778994-B High-temperature-resistant high-salt surfactant composition and preparation method and application thereof 中海石油(中国)有限公司湛江分公司 2022-04-12 CN disclosed