SCHEMBL4451944

SCHEMBL4451944

CCC1(COc2ccccc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
KCNA3 P22001 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 2/20 0.36
LMNA P02545 1/20 0.36
HTR1D P28221 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL7269669 0.88 KCNA3 (0.44) LTA4HTDP1KCNA3HTR1AHTR1B
SCHEMBL11399029 0.86 LTA4H (0.39) LTA4HTDP1KCNA3CHRNB2CHRNB4
SCHEMBL31090403 0.82 CHRNA7 (0.47) LTA4HKCNA3CHRNB2CHRNB4CHRNA3
SCHEMBL27760167 0.81 TAAR1 (0.44) LTA4HTDP1KCNA3TAAR1ALDH1A1
SCHEMBL476346 0.80 TDP1 (0.38) TDP1KCNA3HTR1ALMNATAAR1
SCHEMBL7218155 0.77 THRB (0.38) TDP1KCNA3HTR1ATAAR1ALDH1A1
SCHEMBL667989 0.77 KCNA3 (0.41) LTA4HTDP1KCNA3CHRNB2CHRNB4
SCHEMBL19091769 0.77 KCNA3 (0.41) LTA4HTDP1KCNA3CHRNB2CHRNB4
SCHEMBL28008410 0.76 LTA4H (0.40) LTA4HTDP1KCNA3CHRNB2CHRNB4
SCHEMBL36030 0.76 MEN1 (0.41) LTA4HTDP1KCNA3CHRNB2CHRNB4

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
CN-102498161-B Process for production of cured molded article, and cured molded article NIPPON CATALYTIC CHEM IND 2014-12-31 CN disclosed
CN-102482364-B Fluorinated cyclic olefin polymer composition, transfer body obtained from the composition, and method for producing the transfer body MITSU CHEMICALS INC 2013-08-28 CN disclosed
CN-102498161-A Process for production of cured molded article, and cured molded article NIPPON CATALYTIC CHEM IND 2012-06-13 CN disclosed
CN-102482364-A Fluorinated cyclic olefin polymer composition, transfer body obtained from the composition, and method for producing the transfer body MITSUI CHEMICALS INC 2012-05-30 CN disclosed
US-7601448-B2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-13 US disclosed
CN-100365083-C Hardening resin composition and protective film SUMITOMO CHEMICAL CO (JP) 2008-01-30 CN disclosed
CN-1258517-C Process for preparing acrylic ester (methacrylic) DSM IP PROPERTY N V (NL) 2006-06-07 CN disclosed
US-20030044669-A1 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED 2003-03-06 US disclosed
EP-1274147-A2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-08 EP disclosed