Allylbenzene

Allylbenzene

SCHEMBL1637296

C=CCc1ccccc1.C=Cc1ccc(C)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 2/20 0.38

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 SCHEMBL757639 0.86 ALDH1A1 (0.64) CNR2ALDH1A1TSHRATMCA1
Allylbenzene SCHEMBL11425516 0.86 CNR2 (0.55) CNR2ALDH1A1TSHRATMCA1
Allylbenzene SCHEMBL16681675 0.86 CNR2 (0.55) CNR2ALDH1A1TSHRATMCA1
Styrene SCHEMBL1974109 0.82 ALDH1A1 (0.70) ALDH1A1TSHRTP53SMN1; SMN2CYP3A4
Styrene SCHEMBL9583045 0.82 ALDH1A1 (0.70) ALDH1A1TSHRTP53SMN1; SMN2CYP3A4
Benzene SCHEMBL28408287 0.82 ALDH1A1 (0.61) ALDH1A1TSHRCA1TP53SMN1; SMN2
Allylbenzene SCHEMBL2890019 0.81 ALDH1A1 (0.46) CNR2ALDH1A1TSHRMAOBCYP2C19
Allylbenzene SCHEMBL943452 0.81 TP53 (0.67) CNR2ALDH1A1TSHRTP53SMN1; SMN2
Styrene SCHEMBL2361403 0.80 ALDH1A1 (0.74) ALDH1A1TSHRTP53SMN1; SMN2CYP3A4
SCHEMBL87997 0.80 ALDH1A1 (0.58) CNR2ALDH1A1TSHRTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3374335-A2 HETEROPOLYACID CATALYSTS, THEIR PREPARATION AND PHOTOCATALYTIC PROCESS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-09-19 EP disclosed
WO-2017081471-A2 CATALYSTS AND CATALYTIC PROCESSES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 WO disclosed
US-7932016-B2 Photosensitive composition ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2011-04-26 US disclosed
US-20060167174-A1 Electronic device manufacture ROHM AND HAAS ELECTRONIC MATERIAL LLC (US) 2006-07-27 US disclosed
WO-2005030867-A2 THERMOPLASTIC RESIN COMPOSITION AND INJECTION MOLDED ARTICLES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-07 WO disclosed