Allylbenzene

Allylbenzene

SCHEMBL28845696

C=CCc1ccccc1.C=Cc1ccc(C=C)cc1.C=Cc1cccc(C=C)c1.C=Cc1ccccc1C=C

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 2/20 0.36
MAOB P27338 1/20 0.35
FAAH O00519 1/20 0.34
CNR2 P34972 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
XDH P47989 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
Allylbenzene SCHEMBL28228849 0.92 ALDH1A1 (0.54) ALDH1A1TSHRTP53MAOBCNR2
Allylbenzene SCHEMBL27584746 0.84 ALDH1A1 (0.56) ALDH1A1TSHRTP53TDP1MAOB
Allylbenzene SCHEMBL757639 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTP53TDP1MAOB
SCHEMBL308299 0.84 ALDH1A1 (0.56) ALDH1A1TSHRTP53TDP1PTGS2
Allylbenzene SCHEMBL7056463 0.84 MAOB (0.48) ALDH1A1TSHRTP53TDP1MAOB
Allylbenzene SCHEMBL28284002 0.82 ALDH1A1 (0.61) ALDH1A1TSHRTP53TDP1MAOB
Allylbenzene SCHEMBL9101100 0.81 ALDH1A1 (0.58) ALDH1A1TSHRTP53MAOBCNR2
Allylbenzene SCHEMBL28279624 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTP53MAOBCNR2
Allylbenzene SCHEMBL943452 0.79 TP53 (0.67) ALDH1A1TSHRTP53TDP1PTGS2
SCHEMBL3669286 0.79 TP53 (0.48) ALDH1A1TSHRTP53TDP1PTGS2

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-106715571-A Sealing sheet, solar cell module, and method for manufacturing sealing sheet 三井化学东赛璐株式会社 2017-05-24 CN disclosed