SCHEMBL27316633

SCHEMBL27316633

CCCCC(CC)COC(=O)CCc1cccc(-c2cccc3[nH]nnc23)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 7/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 3/20 0.39
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.34
IAPP P10997 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL27328187 0.88 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29565385 0.88 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27633380 0.86 ALDH1A1 (0.45) TDP1ALDH1A1HSD17B10IAPPGAA
SCHEMBL4887850 0.84 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL490372 0.78 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29565084 0.78 ELANE (0.40) ALDH1A1HSD17B10IAPPKDM4E
SCHEMBL8149251 0.78 ELANE (0.40) ALDH1A1HSD17B10IAPPKDM4E
SCHEMBL29565133 0.77 ALOX5 (0.45) ALDH1A1HSD17B10IAPPGAAKDM4E
SCHEMBL29565164 0.76 ALDH1A1 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL9068079 0.76 ALOX5 (0.44) ALDH1A1HSD17B10KDM4E

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105378000-A Aqueous coating composition with improved durability DOW GLOBAL TECHNOLOGIES INC 2016-03-02 CN disclosed
CN-104610222-A Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORP 2015-05-13 CN disclosed
CN-101663374-B DOPO flame retardant compositions BASF SE (DE) 2014-10-15 CN disclosed
CN-103819960-A Tinted clear coatings uv stabili zed with 2-hydroxy phenyl triazine CIBA HOLDING INC 2014-05-28 CN disclosed
CN-103476764-A Process for producing episulfide compound ASAHI KASEI CHEMICALS CORP (JP) 2013-12-25 CN disclosed
CN-101374924-B Reversible thermochromic compositions CIBA HOLDING INC 2013-09-11 CN disclosed
CN-101479326-B Method for enhancing plant growth CIBA HOLDING INC 2011-11-16 CN disclosed
CN-101472744-B Reversibly thermochromic system, composition, article and method for reversibly thermochromic coloring a carrier material CIBA HOLDING INC 2011-09-14 CN disclosed
CN-102127085-A Use of pyrimido[5,4-g]pteridines as shading component in color filter colorant compositions CIBA SC HOLDING AG 2011-07-20 CN disclosed
CN-101511913-B Liquid polymer phosphites and phosphonites as stabilizers CIBA HOLDING INC 2011-06-22 CN disclosed
CN-1171422-A Hydroxyphenyltriazines CIBA GEIGY AG (CH) 1998-01-28 CN disclosed
CN-1036928-C Oligomeric HALS phosphites and HALS phosphonites as stabilisers CIBA SPECIAL CHEMICAL CO LTD (CH) 1998-01-07 CN disclosed
CN-1140730-A Halogen-containing polymers provided with antistatic agent CIBA GEIGY AG (CH) 1997-01-22 CN disclosed
CN-1133859-A Stabilizer combination CIBA GEIGY AG (CH) 1996-10-23 CN disclosed
CN-1132747-A Bisresorcinyltriazines CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
CN-1121350-A Increasing the molecular weight of polyesters and premix useful for this process CIBA GEIGY AG (CH) 1996-04-24 CN disclosed
CN-1106032-A Benzofuran-2-ones as stabilisers CIBA GEIGY AG (CH) 1995-08-02 CN disclosed
CN-1094736-A Stabilized polyvinyl chloride CIBA GEIGY AG (CH) 1994-11-09 CN disclosed
CN-1084529-A Stablize the method for recovery plastics of single-material and the stabilizer blend of these plastics CIBA GEIGY AG (CH) 1994-03-30 CN disclosed
CN-1077448-A Carboxylicesters as the hydroxyphenylalkanolas of stablizer CIBA GEIGY AG (CH) 1993-10-20 CN disclosed