SCHEMBL29107302

SCHEMBL29107302

C=CCOc1ccccc1C#Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
FFAR1 O14842 3/20 0.42
LIG1 P18858 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
SLC22A1 O15245 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL29107260 0.89 MAPT (0.42) MAPTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29107293 0.88 LIG1 (0.41) MAPTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29107259 0.88 PTGDR2 (0.44) ALDH1A1HPGDHSD17B10CYP1A2NPC1
SCHEMBL29107268 0.85 APP (0.49) MAPTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29107276 0.85 MAPT (0.45) MAPTHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL30638931 0.84 PTGDR2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL29107277 0.84 FFAR1 (0.42) MAPTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29107292 0.84 PTGDR2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL29107266 0.84 FFAR1 (0.40) MAPTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29107288 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2KDM4E

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-117069684-A Method for synthesizing sulfur-containing alkenyl halogenated benzopyran derivative 温州大学 2023-11-17 CN disclosed