SCHEMBL29958039

SCHEMBL29958039

CCOc1c(F)ccc(F)c1B(O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ TLR4 O00206 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PLK1 P53350 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL2578729 0.87 ALDH1A1 (0.36) L3MBTL1NQO1TUBB1ALDH1A1HTT
SCHEMBL1069183 0.78 L3MBTL1 (0.39) L3MBTL1TUBB1ALDH1A1HTTSMN1; SMN2
SCHEMBL29952385 0.78 L3MBTL1 (0.39) L3MBTL1TUBB1ALDH1A1HTTSMN1; SMN2
SCHEMBL14120431 0.78 ENPP2 (0.35) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL29956129 0.76 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL29187013 0.76 L3MBTL1 (0.33) L3MBTL1NQO1TUBB1ALDH1A1HTT
SCHEMBL3984741 0.76 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL16668301 0.75 TSHR (0.39) L3MBTL1ALDH1A1HTTLMNATSHR
SCHEMBL16687403 0.75 HPGD (0.41) L3MBTL1TUBB1ALDH1A1HTTSMN1; SMN2
SCHEMBL29954273 0.75 TSHR (0.39) L3MBTL1ALDH1A1HTTLMNATSHR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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