Ethylbenzene

Ethylbenzene

SCHEMBL7167647

C(=NCCN1CCOCC1)=NC1CCCCC1.CCc1ccccc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2C9 P11712 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
TRPC5 Q9UL62 1/20 0.36

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
SCHEMBL335423 0.86 CYP1A2 (0.63) CYP1A2CYP2C9MEN1KMT2AHTR2C
Phenylmethanesulfonic Acid SCHEMBL11217222 0.84 CYP1A2 (0.64) CYP1A2POLBSIGMAR1CYP2C9MEN1
SCHEMBL53117 0.84 CYP1A2 (1.00) CYP1A2SIGMAR1CYP2C9CYP2D6ALDH1A1
Chloromethane SCHEMBL11328216 0.83 CYP1A2 (0.91) CYP1A2SIGMAR1CYP2C9CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL1746114 0.83 CYP1A2 (0.97) CYP1A2SIGMAR1CYP2C9ALDH1A1KDM4E
SCHEMBL1807959 0.82 CYP1A2 (0.58) CYP1A2CYP2C9APOBEC3AAPOBEC3GALDH1A1
Ethylbenzene SCHEMBL10533016 0.81 CYP1A2 (0.43) CYP1A2POLBSIGMAR1CYP2C9MEN1
SCHEMBL29648226 0.81 CYP1A2 (0.82) CYP1A2SIGMAR1CYP2C9CYP2D6KCNH2
Carbimide SCHEMBL10416395 0.81 CYP1A2 (0.91) CYP1A2SIGMAR1CYP2C9ALDH1A1KDM4E
SCHEMBL722947 0.80 CYP1A2 (0.60) CYP1A2CYP2C9MEN1KMT2AAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778693-B2 Kit for detecting functional carboxyl groupings UNIVERSITE D'AIX MARSEILLE (FR) 2014-07-15 US claimed
US-20120309097-A1 KIT FOR DETECTING FUNCTIONAL CARBOXYL GROUPINGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-12-06 US claimed
EP-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 EP disclosed
US-6218393-B1 IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG XENOVA LIMITED (GB) 2001-04-17 US disclosed
CN-1241181-A Pharmaceutical compounds XENOVA LTD (GB) 2000-01-12 CN disclosed
EP-0934276-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017648-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1998-04-30 WO disclosed