SCHEMBL22144522

SCHEMBL22144522

CCc1ccc(-c2ccc(OCCOCC(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ RARA P10276 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL17174033 0.88 RARB (0.50) RARBKDM4ERARALMNAL3MBTL1
SCHEMBL23512464 0.85 ALOX15 (0.55) KDM4ERXRARXRBALDH1A1SMN1; SMN2
SCHEMBL24897600 0.84 L3MBTL1 (0.60) RARBRARAL3MBTL1HDAC1HDAC2
SCHEMBL24674912 0.84 PLA2G4B (0.54) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL2116281 0.83 ALOX15 (0.54) RARBL3MBTL1HDAC1HDAC2MAPT
SCHEMBL17941045 0.83 TDP1 (0.56) RARBLMNAL3MBTL1MAPTRAB9A
SCHEMBL24934781 0.81 KDM4E (0.49) RARBKDM4ELMNAL3MBTL1RXRA
SCHEMBL22932079 0.81 SMN1; SMN2 (0.67) RARBKDM4ERXRARXRBHDAC1
SCHEMBL22932078 0.81 ALDH1A1 (0.50) RARBKDM4ERARAL3MBTL1RXRA
SCHEMBL809992 0.80 ALOX15 (0.61) L3MBTL1MAPTALDH1A1SMN1; SMN2PPARD

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
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
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