Butylbenzyl

Butylbenzyl

SCHEMBL8519397

CC(C)c1ccccc1.CCCCc1ccccc1

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
KCNH2 Q12809 2/20 0.51
RAB9A P51151 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 4/20 0.47
BCHE P06276 1/20 0.46
UCHL3 P15374 1/20 0.46
MAOB P27338 1/20 0.45

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
Butylbenzyl SCHEMBL15913463 0.89 CNR2 (0.50) HTR2AKCNH2RAB9ANPC1SMN1; SMN2
Isopropylbenzene SCHEMBL10951391 0.88 SIGMAR1 (0.49) HTR2AKCNH2RAB9ACHRM2HTR1A
Isopropylbenzene SCHEMBL374165 0.88 SIGMAR1 (0.49) HTR2AKCNH2RAB9ACHRM2HTR1A
Butylbenzyl SCHEMBL15913562 0.86 CNR2 (0.48) HTR2AKCNH2RAB9ANPC1SMN1; SMN2
Butylbenzyl SCHEMBL27637744 0.86 CNR2 (0.48) HTR2AKCNH2RAB9ANPC1SMN1; SMN2
Isopropylbenzene SCHEMBL28072202 0.86 HTR2A (0.53) HTR2AKCNH2RAB9ACHRM2HTR1A
SCHEMBL8090819 0.85 UCHL3 (0.56) HTR2ARAB9ACHRM2ADRA2ACHRM1
Isopropylbenzene SCHEMBL10601589 0.85 MAOA (0.52) KCNH2RAB9ASLC6A2SLC6A4SLC6A3
Isopropylbenzene SCHEMBL8837125 0.85 HTR2A (0.47) HTR2AKCNH2LMNA
Butylbenzyl SCHEMBL3229215 0.85 SIGMAR1 (0.59) KCNH2CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717024-B1 Process for the recovery of phenol from an aqueous stream containing Na2So4 ENICHEM SPA (IT) 1999-09-01 EP disclosed
US-5811598-A EXTRACTING WITH AN ORGANIC SOLVENT; DISTILLING RECOVERED EXTRACTED PRODUCT ENICHEM S.P.A. (IT) 1998-09-22 US disclosed
EP-0717024-A1 Process for the recovery of phenol from an aqueous stream containing Na2So4 ENICHEM S.p.A. (IT) 1996-06-19 EP disclosed