SCHEMBL2003722

SCHEMBL2003722

C=CCc1ccccc1C(C)(C)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
ALDH1A1 P00352 2/20 0.36
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
HTR1A P08908 1/20 0.34
ADRB3 P13945 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
BDKRB2 P30411 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 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
SCHEMBL6841870 0.86 GABRA1 (0.42) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL28186789 0.83 GABRA1 (0.42) GABRA1GABRB2ALDH1A1MEN1MAPT
SCHEMBL278267 0.82 GABRA1 (0.40) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL4132999 0.82 GABRA1 (0.40) GABRA1GABRB2ALDH1A1ELANEMEN1
Water SCHEMBL2392756 0.81 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL9358246 0.81 MAPK1 (0.42) GABRA1GABRB2ALDH1A1ELANEMAPK1
Hydrochloric Acid SCHEMBL28211604 0.81 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Hydrochloric Acid SCHEMBL170004 0.81 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Iodide SCHEMBL8165516 0.81 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Ammonia Solution, Strong SCHEMBL7776228 0.81 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEMEN1

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
CN-109553536-B Synthetic method of fatty alkyl dimethyl benzyl quaternary ammonium salt 湖北葛店人福药用辅料有限责任公司 2022-05-03 CN disclosed
EP-2515782-B1 POWDER-FREE GLOVE WITH STABLE AND FAST-ACTING ANTIMICROBIAL COATING ANSELL LTD (AU) 2015-12-16 EP disclosed
EP-2515782-A2 POWDER-FREE GLOVE WITH STABLE AND FAST-ACTING ANTIMICROBIAL COATING Ansell Limited (AU) 2012-10-31 EP disclosed
WO-2011084778-A2 POWDER-FREE GLOVE WITH STABLE AND FAST-ACTING ANTIMICROBIAL COATING ANSELL HEALTHCARE PRODUCTS LLC (US) 2011-07-14 WO disclosed
US-20110145975-A1 P0WDER-FREE GLOVE WITH STABLE AND FAST ACTING MICROBIAL COATING Ansell Limited (AU) 2011-06-23 US disclosed