SCHEMBL20564902

SCHEMBL20564902

CCc1ccccc1C(CCCC(=O)O)(C(=O)O)c1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYSLTR2 Q9NS75 6/20 0.39
CYSLTR1 Q9Y271 6/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FFAR1 O14842 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
SCHEMBL20564936 0.95 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20563404 0.94 HDAC11 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20564562 0.94 HDAC11 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15282005 0.86 CYSLTR2 (0.54) CYSLTR2CYSLTR1
SCHEMBL20564120 0.84 GAA (0.41) CYSLTR2CYSLTR1
SCHEMBL20564455 0.83 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4209343 0.81 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20564736 0.80 HIF1A (0.43) MAPTFFAR1ALDH1A1GABRA1GABRB2
SCHEMBL14778279 0.79 ALDH1A1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8498809 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625283-B1 POLYESTER COPOLYMER AVANTIUM KNOWLEDGE CENTRE BV (NL) 2025-05-07 EP disclosed
US-11548980-B2 Polyester copolymer AVANTIUM KNOWLEDGE CENTRE B.V. (NL) 2023-01-10 US disclosed
US-20210139645-A1 Polyester Copolymer AVANTIUM KNOWLEDGE CENTRE B.V. (NL) 2021-05-13 US disclosed
EP-3625283-A1 POLYESTER COPOLYMER Avantium Knowledge Centre B.V. (NL) 2020-03-25 EP disclosed
WO-2018211132-A1 POLYESTER COPOLYMER AVANTIUM KNOWLEDGE CENTRE B.V. (NL) 2018-11-22 WO disclosed