SCHEMBL6546673

SCHEMBL6546673

CCCC=Cc1cc(-c2ccccc2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 2/20 0.34
PDE5A O76074 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR5 P32302 2/20 0.33
BRD4 O60885 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6546663 0.87 TLR8 (0.46) TLR8L3MBTL1GAAPDE5AHPGD
SCHEMBL7209879 0.78 PDE5A (0.48) TLR8GAAPDE5AKDM4EMEN1
SCHEMBL1882900 0.77 TLR8 (0.46) TLR8GAAKDM4EMEN1ALDH1A1
SCHEMBL1882899 0.77 TLR8 (0.46) TLR8GAAKDM4EMEN1ALDH1A1
SCHEMBL28386776 0.75 CA1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6547635 0.75 TLR8 (0.43) TLR8GAAPDE5AHPGDKDM4E
SCHEMBL23550052 0.75 TLR8 (0.39) TLR8GAAPDE5AHPGDKMT2A
SCHEMBL22791603 0.75 TLR8 (0.39) TLR8GAAPDE5AHPGDKMT2A
SCHEMBL6548213 0.73 PELI1 (0.39) TLR8L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL1469236 0.73 TLR8 (0.43) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548938-A Cis-trans-inversion method of non-terminal alkene liquid crystal monomer 江苏广域化学有限公司 2021-10-26 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