SCHEMBL27770875

SCHEMBL27770875

CCCCCCC(CCCC)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.56
SLC6A2 P23975 3/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56
TST Q16762 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL11665727 1.00 ESR1 (0.56) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL982671 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL27769552 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL27769561 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL984627 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL983856 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL17082269 0.98 ESR1 (0.53) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL983353 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL985173 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL27791868 0.98 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
CN-108503759-A A kind of synthetic method of alkyl phenolic resin 彤程化学(中国)有限公司 2018-09-07 CN disclosed
CN-104031220-B Synthesis method of alkyl phenolic resin 彤程化学(中国)有限公司 2018-04-24 CN disclosed
CN-104031220-A Synthesis method of alkyl phenolic resin RED AVENUE CHEMICAL SHANGHAI CO LTD 2014-09-10 CN disclosed
CN-101652344-B Method for production of isocyanate using composition comprising carbamic acid ester and aromatic hydroxy compound, and composition for transport or storage of carbamic acid ester ASAHI CHEMICAL CORP JP 2014-06-04 CN disclosed
CN-101589022-B Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2013-08-14 CN disclosed
CN-101600684-B Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-03-06 CN disclosed
CN-101652344-A Method for production of isocyanate using composition comprising carbamic acid ester and aromatic hydroxy compound, and composition for transport or storage of carbamic acid ester ASAHI KASEI CHEMICALS CORP (JP) 2010-02-17 CN disclosed