SCHEMBL8939352

SCHEMBL8939352

CCC(C#N)CCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
RAB9A P51151 3/20 0.47
MAPK1 P28482 1/20 0.47
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.44
HRH3 Q9Y5N1 3/20 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
SCHEMBL8939346 0.90 LSS (0.49) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6024662 0.90 ALOX5 (0.53) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8939312 0.88 LTA4H (0.50) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8939349 0.87 KDM4E (0.50) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8939325 0.87 KDM4E (0.50) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8939329 0.87 KDM4E (0.50) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7900745 0.84 KDM1A (0.46) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5279404 0.84 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8939326 0.83 LSS (0.51) LSSCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3764837 0.78 FDFT1 (0.49) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118169925-A Continuous electrochromic polymer stabilized cholesteric liquid crystal material and preparation method thereof 大连理工大学 2024-06-11 CN claimed
CN-118169925-A Continuous electrochromic polymer stabilized cholesteric liquid crystal material and preparation method thereof 大连理工大学 2024-06-11 CN disclosed
CN-111247229-A Aligned nematic elastomers 利兹大学 2020-06-05 CN disclosed
US-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed