SCHEMBL29057233

SCHEMBL29057233

CCCc1cccc(C#Cc2ccccc2)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.41
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL16953873 0.78 ELANE (0.37) MAPTELANE
SCHEMBL29057231 0.77 ALOX5 (0.44) FFAR1
SCHEMBL17975080 0.73 PTGDR2 (0.47) FFAR1NPC1KDM4EMEN1ALDH1A1
SCHEMBL9355648 0.73 MAPT (0.50) FFAR1NPC1KDM4EMEN1ALDH1A1
SCHEMBL2746384 0.72 FFAR1 (0.39) FFAR1NPC1KDM4EMEN1ALDH1A1
SCHEMBL2353493 0.71 FFAR1 (0.50) FFAR1NPC1KDM4EMEN1ALDH1A1
SCHEMBL16961333 0.71 PTGER4 (0.41) KDM4ECYP1A2CYP3A4CYP2C9PTGDR2
SCHEMBL22864059 0.71 L3MBTL1 (0.46) NPC1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9356039 0.70 LIPG (0.50) FFAR1NPC1KDM4EMEN1ALDH1A1
SCHEMBL27418119 0.70 FFAR1 (0.64) FFAR1NPC1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116429932-A Separation and detection method for liquid crystal and decomposition products in sulfuric acid leaching solution of waste liquid crystal panel 中国环境科学研究院 2023-07-14 CN disclosed