SCHEMBL24199904

SCHEMBL24199904

CCOC(=O)Cc1ccccc1ONCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ PTGER4 P35408 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21455699 0.79 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL21455539 0.75 TBXAS1 (0.36) TBXAS1PKMGAAHPGDTACR1
SCHEMBL7890168 0.74 TBXAS1 (0.59) TBXAS1PKMGAACYP4F2CYP4A11
SCHEMBL1792326 0.74 TSHR (0.55) TBXAS1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL68340 0.73 PKM (0.60) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL29346996 0.73 ALDH1A1 (0.44) TBXAS1PKMCYP4F2CYP4A11HPGD
SCHEMBL23229267 0.73 TBXAS1 (0.51) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL18050410 0.72 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11HPGD
SCHEMBL28392981 0.72 TBXAS1 (0.50) TBXAS1PKMCYP4F2CYP4A11HPGD
SCHEMBL18050464 0.72 CYP4F2 (0.50) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2

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
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
Send feedback