SCHEMBL9623616

SCHEMBL9623616

CC(C)(C)c1ccccc1OCCCC(Oc1ccc(C(=O)O)cc1C(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FOLH1 Q04609 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
RBP4 P02753 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9623318 0.79 TDP1 (0.49) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL9622897 0.78 THRA (0.55) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL133937 0.78 PPARG (0.46) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL9623914 0.76 PPARG (0.51) KDM4ETHRATHRBFOLH1LMNA
SCHEMBL9623316 0.76 PPARA (0.46) ALDH1A1KDM4ETHRATHRBFOLH1
SCHEMBL9623931 0.76 MEN1 (0.48) RXRARXRBALDH1A1FOLH1MEN1
SCHEMBL9623622 0.76 FOLH1 (0.44) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL9307582 0.75 THRA (0.70) ALDH1A1THRATHRB
SCHEMBL9307228 0.75 THRA (0.70) ALDH1A1THRATHRB
SCHEMBL8935730 0.73 PPARG (0.54) RXRARXRBRXRGALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212944-B1 MELT-PROCESSABLE AROMATIC COPOLYESTER Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-04-08 EP disclosed
US-4746721-A ENGINEERING PLASTICS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1988-05-24 US disclosed
EP-0212944-A2 Melt-processable aromatic copolyester Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1987-03-04 EP disclosed