SCHEMBL24200307

SCHEMBL24200307

CCOC(=O)Cc1ccc(-c2ccccc2)cc1O/C(=C/C(B1OC(C)(C)C(C)(C)O1)=C(\C)O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGER4 P35408 2/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL21455145 0.89 TBXAS1 (0.36) SMN1; SMN2KDM4EALDH1A1L3MBTL1AKR1C3
SCHEMBL25894394 0.89 TBXAS1 (0.36) SMN1; SMN2KDM4EALDH1A1L3MBTL1AKR1C3
SCHEMBL21562070 0.88 MAOB (0.31) HPGDMEN1KMT2A
SCHEMBL24555300 0.88 EGFR (0.31) AKR1C3AKR1C2
SCHEMBL23241659 0.87 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL21455391 0.82 TBXAS1 (0.36) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL25894459 0.82 TBXAS1 (0.36) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL21562075 0.81 MEN1 (0.33) ALDH1A1HPGDMEN1KMT2A
SCHEMBL21455609 0.81 UCHL1 (0.31) —
SCHEMBL21455784 0.80 L3MBTL1 (0.41) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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
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