Allylbenzene

Allylbenzene

SCHEMBL8926545

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC3 O15379 1/20 0.42
EPHX2 P34913 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
TOP1 P11387 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
Styrene SCHEMBL258132 0.84 LMNA (0.47) ALDH1A1CES2CES1HDAC3MEN1
Styrene SCHEMBL5270544 0.84 LMNA (0.47) ALDH1A1CES2CES1HDAC3MEN1
SCHEMBL8991876 0.84 MEN1 (0.49) ALDH1A1CES2CES1HDAC3EPHX2
Styrene SCHEMBL17065130 0.84 LMNA (0.47) ALDH1A1CES2CES1HDAC3MEN1
SCHEMBL5268229 0.83 CES2 (0.44) ALDH1A1CES2CES1HDAC3HPGD
Stearic Acid SCHEMBL27373940 0.81 ALDH1A1 (0.55) ALDH1A1EPHX2MEN1KMT2AHSD17B10
Styrene SCHEMBL7783115 0.80 LMNA (0.44) ALDH1A1CES2CES1HDAC3MEN1
Styrene SCHEMBL987788 0.80 LMNA (0.44) ALDH1A1CES2CES1HDAC3MEN1
Styrene SCHEMBL3430407 0.80 LMNA (0.44) ALDH1A1CES2CES1HDAC3MEN1
Allylbenzene SCHEMBL8927136 0.80 CYP3A4 (0.43) ALDH1A1CES2CES1MEN1KMT2A

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-5629367-A Method of making pigment concentrate particles and product of same EASTMAN KODAK COMPANY (US) 1997-05-13 US disclosed