SCHEMBL29804592

SCHEMBL29804592

Cc1ccc(OBOc2ccc(C)c(C)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL177356 1.00 TDP1 (0.44) TDP1SMN1; SMN2HAO1KMT2AL3MBTL1
SCHEMBL177455 0.79 CYP3A4 (0.45) SMN1; SMN2KMT2ALMNAALDH1A1NPC1
SCHEMBL450533 0.79 MRGPRX4 (0.39) KMT2AL3MBTL1ALDH1A1NPC1SLC6A4
SCHEMBL177406 0.79 MCL1 (0.49) TDP1SMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL14660398 0.79 TSHR (0.45) TDP1SMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL177568 0.79 HTR2A (0.40) KMT2AHTR2ASLC6A4RAB9A
SCHEMBL1124557 0.79 ALDH1A1 (0.48) TDP1SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL23744 0.78 CA12 (0.45) SMN1; SMN2KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL23052 0.78 CA12 (0.45) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL2314642 0.78 SMN1; SMN2 (0.33) TDP1SMN1; SMN2HAO1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111108148-B Treatment additives for silicone elastomer bases 美国陶氏有机硅公司 2022-08-23 — — CN claimed
CN-111108148-B Treatment additives for silicone elastomer bases 美国陶氏有机硅公司 2022-08-23 — — CN disclosed
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