SCHEMBL27445644

SCHEMBL27445644

c1ccc(-c2ccc3c(c2)CCC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CAMK2A Q9UQM7 1/20 0.46
TSHR P16473 1/20 0.46
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B3 P37058 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL30125264 1.00 CYP11B1 (0.56) CYP11B1CYP11B2CAMK2ATSHRTDP2
SCHEMBL9845507 0.95 CYP11B1 (0.61) CYP11B1CYP11B2CAMK2ATSHRTDP2
SCHEMBL6253369 0.91 HSD17B3 (0.51) CYP11B1CYP11B2TDP2ALDH1A1HSD17B3
Ammonia Solution, Strong SCHEMBL4888955 0.88 HSD17B3 (0.50) CYP11B1CYP11B2TDP2ALDH1A1HSD17B3
SCHEMBL29541304 0.88 CYP11B1 (0.55) CYP11B1CYP11B2TSHRALDH1A1NPC1
SCHEMBL28655422 0.88 CYP11B1 (0.55) CYP11B1CYP11B2TSHRALDH1A1NPC1
SCHEMBL21028472 0.86 HSD17B3 (0.49) CYP11B1CYP11B2TDP2ALDH1A1HSD17B3
SCHEMBL29338833 0.83 CYP11B1 (0.50) CYP11B1CYP11B2CAMK2ATSHRTDP2
SCHEMBL29338832 0.83 CYP11B1 (0.50) CYP11B1CYP11B2CAMK2ATSHRTDP2
Biphenyl SCHEMBL6337744 0.83 TSHR (0.67) TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102627522-B Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2013-11-27 CN claimed
CN-102627522-A Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2012-08-08 CN claimed
CN-115449262-A Marking composition 桑福德有限合伙人公司 2022-12-09 CN disclosed
CN-114127638-A Negative photosensitive resin composition, cured film, organic EL display, and method for producing cured film 东丽株式会社 2022-03-01 CN disclosed
CN-102627522-B Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2013-11-27 CN disclosed
CN-102627522-A Synthesis method of indenofluorene derivatives, isotruxene and mono-substituted isotruxene derivatives UNIV EAST CHINA NORMAL 2012-08-08 CN disclosed
CN-1189435-C Novel transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2005-02-16 CN disclosed
CN-1116320-C Catalyst for syndiotatic phenylethylene polymerization CHINA PETROCHEMICAL CORP (CN) 2003-07-30 CN disclosed
CN-1116311-C Indenyl metal titanium compound and its preparing method and use CHINA PETROCHEMICAL CORP (CN) 2003-07-30 CN disclosed
CN-1352201-A Indenyl metal titanium compound and its preparing method and use CHINA PETROCHEMICAL CORP (CN) 2002-06-05 CN disclosed
CN-1352205-A Catalyst for syndiotatic phenylethylene polymerization CHINA PETROCHEMICAL CORP (CN) 2002-06-05 CN disclosed
CN-1240782-A Novel transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2000-01-12 CN disclosed