SCHEMBL4476579

SCHEMBL4476579

c1ccc(-c2cccc(C3CCCCC3)c2C2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
PTGS2 P35354 1/20 0.49
PTPN5 P54829 4/20 0.42
PTPN2 P17706 1/20 0.42
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 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
SCHEMBL28816105 1.00 CHRNB2 (0.57) CHRNB2CHRNA4PTGS2PTPN5PTPN2
Phosphine SCHEMBL2085260 0.98 CHRNB2 (0.59) CHRNB2CHRNA4PTGS2PTPN5PTPN2
SCHEMBL27995875 0.98 CHRNB2 (0.58) CHRNB2CHRNA4PTGS2PTPN5PTPN2
SCHEMBL60703 0.85 PTGS2 (0.63) CHRNB2CHRNA4PTGS2PTPN5PTPN2
Cyclohexane SCHEMBL9787037 0.85 PTGS2 (0.63) CHRNB2CHRNA4PTGS2PTPN5PTPN2
Benzene SCHEMBL27912155 0.85 PTGS2 (0.63) CHRNB2CHRNA4PTGS2PTPN5PTPN2
SCHEMBL30407966 0.85 PTGS2 (0.63) CHRNB2CHRNA4PTGS2PTPN5PTPN2
SCHEMBL28154893 0.85 PTGS2 (0.63) CHRNB2CHRNA4PTGS2PTPN5PTPN2
SCHEMBL1517302 0.84 PTGS2 (0.43) CHRNB2CHRNA4PTGS2PTPN5PTPN2
SCHEMBL29688424 0.84 CHRNB2 (0.43) CHRNB2CHRNA4PTGS2PTPN5PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115305066-B Polycyclic aromatic hydrocarbon heat conduction composition 中国石油化工股份有限公司 2024-08-30 CN claimed
CN-117487523-A Synthetic thermal conductive medium and synthetic method and system thereof 中国石油化工股份有限公司 2024-02-02 CN claimed
CN-117343697-A Thermosensitive composition and production method and system thereof 中国石油化工股份有限公司 2024-01-05 CN claimed
CN-115305066-A Polycyclic aromatic hydrocarbon heat-conducting composition 中国石油化工股份有限公司 2022-11-08 CN claimed
CN-113493629-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN claimed
CN-113454187-A Biologically available chiral dopants for liquid crystal applications 齐默尔根公司 2021-09-28 CN claimed
EP-0408995-A2 Liquid crystal medium with limited temperature-dependence of the d/p coefficient MERCK PATENT GmbH (DE) 1991-01-23 EP claimed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US claimed
JP-57016831-A None JP disclosed
CN-115305066-B Polycyclic aromatic hydrocarbon heat conduction composition 中国石油化工股份有限公司 2024-08-30 CN disclosed
CN-115305067-B Synthetic heat conduction oil 中国石油化工股份有限公司 2024-07-23 CN disclosed
CN-115851279-B Positive liquid crystal composition with high pretilt angle and application thereof 晶美晟光电材料(南京)有限公司 2024-07-19 CN disclosed
CN-110997871-B Liquid crystal compound 默克专利股份有限公司 2024-04-30 CN disclosed
CN-117487523-A Synthetic thermal conductive medium and synthetic method and system thereof 中国石油化工股份有限公司 2024-02-02 CN disclosed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US disclosed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US disclosed
US-4327021-A PVC Plasticized with dicyclohexylbiphenyl and primary plasticizer SUNTECH, INC. (US) 1982-04-27 US disclosed
JP-S5716831-A PREPARATION OF BIPHENYLDICARBOXYLIC ACID TORAY IND INC 1982-01-28 JP disclosed
US-4294742-A Plasticized vinyl resins containing a linear mono C12 alkyl diphenyl compound SUN OIL COMPANY OF PENNSYLVANIA (US) 1981-10-13 US disclosed
US-4167504-A PVC plasticized with monocyclohexylbiphenyl SUN OIL COMPANY OF PENNSYLVANIA (US) 1979-09-11 US disclosed