SCHEMBL28975433

SCHEMBL28975433

O=C(O)COc1ccccc1C#Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.72
FFAR1 O14842 4/20 0.65
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL28975431 0.90 FFAR1 (0.64) PTGDR2FFAR1CYP2C9POLBSMN1; SMN2
SCHEMBL28975435 0.87 FFAR1 (0.65) PTGDR2FFAR1POLBSMN1; SMN2GLA
SCHEMBL1368779 0.84 PTGDR2 (1.00) PTGDR2FFAR1CYP2C9POLBSMN1; SMN2
SCHEMBL1368495 0.82 PTGDR2 (1.00) PTGDR2CYP2C9
SCHEMBL29107265 0.81 PTGDR2 (0.52) PTGDR2FFAR1CYP2C9SMN1; SMN2
SCHEMBL7975981 0.80 PTGDR2 (0.57) PTGDR2FFAR1CYP2C9
SCHEMBL1279945 0.79 SMN1; SMN2 (0.63) PTGDR2POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL1551003 0.79 FFAR1 (1.00) PTGDR2FFAR1SMN1; SMN2ALOX15
SCHEMBL340762 0.78 L3MBTL1 (0.80) PTGDR2FFAR1POLBSMN1; SMN2GLA
SCHEMBL29682135 0.78 L3MBTL1 (0.80) PTGDR2FFAR1POLBSMN1; SMN2GLA

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-111533717-B Method for synthesizing 3-arylmethylbenzo [ b ] furan compound under blue light excitation 谷利军 2023-02-07 CN disclosed