SCHEMBL6054693

SCHEMBL6054693

CCCCCCCC[CH]COCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
ESR1 P03372 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL18139179 0.85 LTA4H (0.51) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL5491778 0.85 LTA4H (0.51) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL4579778 0.85 LTA4H (0.51) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL64327 0.85 LTA4H (0.51) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL302001 0.84 LTA4H (0.59) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL7976810 0.84 LTA4H (0.53) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL10423351 0.82 LTA4H (0.61) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL11794967 0.82 LTA4H (0.57) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL9192236 0.80 LTA4H (0.68) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL9354328 0.80 LTA4H (0.68) LTA4HMLNRNR1I2ESR1NR3C1

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
WO-2006127172-A2 NANOSILICA-BASED FOOD CONTACT SANITIZER THE CLOROX COMPANY (US) 2006-11-30 WO disclosed
EP-0904344-A1 GERMICIDAL DISHWASHING DETERGENT COMPOSITIONS Reckitt & Colman Inc. (US) 1999-03-31 EP disclosed
EP-0904344-A4 1999-03-31 EP disclosed
US-5728667-A GERMICIDAL DISHWASHING DETERGENT CONTAINING QUATERNARY AMMONIUM GERMICIDE, ANIONIC AND NONIONIC SURFACTANTS, SUDS STABILIZING OR BOOSTING AGENTS, WATER RECKITT & COLMAN INC. (US) 1998-03-17 US disclosed
WO-1997015647-A1 GERMICIDAL DISHWASHING DETERGENT COMPOSITIONS RECKITT & COLMAN INC. (US) 1997-05-01 WO disclosed