SCHEMBL6546306

SCHEMBL6546306

Cc1ccccc1C(C)C(C)c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ACHE P22303 2/20 0.50
TSHR P16473 1/20 0.50
ACP3 P15309 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 1/20 0.39
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18568074 0.89 ESR1 (0.52) ESR1ACHETSHRACP3GABRA1
SCHEMBL2022379 0.86 GABRA1 (0.58) ESR1ACHETSHRACP3GABRA1
SCHEMBL23249598 0.85 ESR1 (0.48) ESR1ACHETSHRACP3GABRA1
SCHEMBL11000733 0.85 ESR1 (0.48) ESR1ACHETSHRACP3GABRA1
SCHEMBL21338870 0.85 ESR1 (0.48) ESR1ACHETSHRACP3GABRA1
SCHEMBL23249594 0.85 ESR1 (0.48) ESR1ACHETSHRACP3GABRA1
SCHEMBL29721507 0.85 ESR1 (0.48) ESR1ACHETSHRACP3GABRA1
SCHEMBL21612985 0.85 ESR1 (0.48) ESR1ACHETSHRACP3GABRA1
SCHEMBL146510 0.82 ESR1 (0.56) ESR1ACHETSHRACP3GABRA1
SCHEMBL5493731 0.82 ESR1 (0.56) ESR1ACHETSHRACP3GABRA1

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-114096590-A UV and/or thermally curable silicone-based materials and formulations 汉高知识产权控股有限责任公司 2022-02-25 CN disclosed
CN-107250107-B The crystal modifications of N- (2- (3- phenylcarbamido) phenyl) benzsulfamide and the recording materials for using the crystal modifications 日本曹达株式会社 2019-08-09 CN disclosed
CN-107250107-A N‑(2‑(3 phenylcarbamidos)Phenyl)The crystal modifications of benzsulfamide and the recording materials using the crystal modifications 日本曹达株式会社 2017-10-13 CN disclosed
CN-104797429-B Recording material using non-phenolic compound, recording sheet, and method for using non-phenolic compound for color developer 日本曹达株式会社 2017-04-19 CN disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed