Allylbenzene

Allylbenzene

SCHEMBL8927136

C=C(C)C(=O)O.C=CCc1ccccc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C9 P11712 2/20 0.41
PTGS1 P23219 1/20 0.41

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 SCHEMBL3883984 0.90 ALDH1A1 (0.47) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL28745662 0.90 ALDH1A1 (0.47) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL28106157 0.89 TDP1 (0.43) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL28194878 0.86 HTT (0.44) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL2300303 0.86 MAOB (0.50) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL11212669 0.84 ALDH1A1 (0.48) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL27481287 0.84 MAOB (0.48) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL27581309 0.83 MAOB (0.52) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL318129 0.83 MAOB (0.57) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL27636637 0.83 MAOB (0.57) CYP3A4MEN1KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036768-A TETRAPOLYMER OF THREE ALKYL METHACRYLATES AND ONE DIALKYLAMINOALKYL METHACRYLATE MONOMERS IN ALKYLBENZENE TEXACO INC. (US) 1977-07-19 US claimed
CN-104250539-B Water-dispersed pressure-sensitive adhesive composition and its manufacture method and the bonding sheet for having used said composition 日东电工株式会社 2017-10-24 CN disclosed
US-5629367-A Method of making pigment concentrate particles and product of same EASTMAN KODAK COMPANY (US) 1997-05-13 US disclosed
US-4036768-A TETRAPOLYMER OF THREE ALKYL METHACRYLATES AND ONE DIALKYLAMINOALKYL METHACRYLATE MONOMERS IN ALKYLBENZENE TEXACO INC. (US) 1977-07-19 US disclosed