SCHEMBL7569813

SCHEMBL7569813

C=Cc1ccc(C=C)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
PELI1 Q96FA3 2/20 0.41
BACE1 P56817 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.35
PTGS2 P35354 1/20 0.34
GRM1 Q13255 2/20 0.34
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
FLT3 P36888 2/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
PSMB5 P28074 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL9103024 0.88 ALDH1A1 (0.48) ALDH1A1TSHRPELI1TP53TDP1
SCHEMBL258568 0.84 ALDH1A1 (0.44) ALDH1A1TSHRPELI1BACE1TP53
SCHEMBL3757526 0.83 ALDH1A1 (0.48) ALDH1A1TSHRPELI1BACE1TP53
SCHEMBL4071711 0.82 MEN1 (0.42) ALDH1A1TSHRPELI1BACE1FLT3
SCHEMBL27754545 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9014009 0.81 TP53 (0.42) ALDH1A1PELI1TP53TDP1POLB
Styrene SCHEMBL9476487 0.80 ALDH1A1 (0.56) ALDH1A1TSHRPELI1TP53TDP1
SCHEMBL4074583 0.80 FLT3 (0.39) ALDH1A1TSHRPELI1BACE1PTGS2
SCHEMBL32662830 0.79 FLT3 (0.47) ALDH1A1TSHRBACE1PTGS2FLT3
SCHEMBL29121566 0.78 ALDH1A1 (0.43) ALDH1A1TSHRPELI1BACE1TP53

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-115298573-B High refractive index silicone insert materials for embedded contact lenses 爱尔康公司 2024-09-06 CN disclosed
CN-115298573-A High refractive index silicone insert materials for embedded contact lenses 爱尔康公司 2022-11-04 CN disclosed
WO-2002088428-A2 ELECTROLYSER WITH ANIONIC MEMBRANE AND METHOD FOR PRODUCING A HYPOCHLORITE SOLUTION USING SAME F-TEC SYSTEMS S.A. (CH) 2002-11-07 WO disclosed