SCHEMBL3357686

SCHEMBL3357686

Cc1cc(O)cc(C2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NR1I2 O75469 1/20 0.42
KDM4B O94953 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
DOHH Q9BU89 1/20 0.42
CNR2 P34972 2/20 0.39
ACMSD Q8TDX5 2/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KMO O15229 1/20 0.36
PSMB5 P28074 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 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
SCHEMBL19859179 0.90 ALDH1A1 (0.52) ALDH1A1HCAR1ESR2
SCHEMBL30413252 0.90 ALDH1A1 (0.52) ALDH1A1HCAR1ESR2
SCHEMBL263798 0.87 ACMSD (0.46) CNR2ACMSDHDAC4HDAC2HDAC8
SCHEMBL10793083 0.87 NR1I2 (0.46) ALDH1A1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL2696735 0.85 NR1I2 (0.44) ALDH1A1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL2029212 0.85 ACMSD (0.44) CNR2ACMSDHDAC4HDAC2HDAC8
SCHEMBL27753875 0.85 NR1I2 (0.44) ALDH1A1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL2031629 0.85 ACMSD (0.44) CNR2ACMSDHDAC4HDAC2HDAC8
SCHEMBL27753874 0.85 NR1I2 (0.44) ALDH1A1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL27774514 0.85 NR1I2 (0.44) ALDH1A1NR1I2KDM4BCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014001056-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2014-01-03 WO claimed
US-3992455-A CHEMICAL INTERMEDIATES FOR INSECTICIDES KOPPERS COMPANY, INC. (US) 1976-11-16 US claimed
WO-2014001056-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2014-01-03 WO disclosed
US-20100209810-A1 POLYMER ELECTROLYTE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-101802932-A Polymer electrolyte composition SUMITOMO CHEMICAL CO 2010-08-11 CN disclosed
EP-2192597-A1 POLYMER ELECTROLYTE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
CN-1920666-A Photosensitive slurry SUMITOMO CHEMICAL CO (JP) 2007-02-28 CN disclosed
US-4046818-A SULFONATION KOPPERS COMPANY, INC. (US) 1977-09-06 US disclosed
US-3992455-A CHEMICAL INTERMEDIATES FOR INSECTICIDES KOPPERS COMPANY, INC. (US) 1976-11-16 US disclosed