Allylbenzene

Allylbenzene

SCHEMBL9309629

C#Cc1ccccc1.C=CCc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
CNR2 P34972 2/20 0.38
CYP2C9 P11712 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
XDH P47989 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ARG2 P78540 1/20 0.34

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
SCHEMBL987797 0.85 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
Allylbenzene SCHEMBL27500897 0.83 MAOB (0.55) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL21274 0.82
Allylbenzene SCHEMBL2478260 0.82 MAOB (0.60) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL10325179 0.82 MAOB (0.60) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL3485106 0.82 XDH (0.41) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
Allylbenzene SCHEMBL27750172 0.81 MAOB (0.52) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL27797372 0.81 MAOB (0.52) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL3704854 0.80 MAOB (0.57) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL2051491 0.80 MAOB (0.57) MAOBSMN1; SMN2ALDH1A1TP53CYP3A4

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
US-5354905-A N-alkoxymethyl benzamide derivative and manufacturing method therefor, and manufacturing method for benzamide derivative using this N-alkoxymethyl benzamide derivative YASHIMA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-10-11 US disclosed