SCHEMBL9623622

SCHEMBL9623622

CC(C)(C)c1cccc(C(C)(C)C)c1OCCCC(Oc1c(C(C)(C)C)cc(C(=O)O)cc1C(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
PPARG P37231 4/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.36
PPARA Q07869 3/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
TNFRSF1A P19438 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PTPN11 Q06124 1/20 0.32

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
SCHEMBL9623654 0.77 FOLH1 (0.47) FOLH1ALDH1A1PPARGPTGESALOX5
SCHEMBL9623616 0.76 RXRA (0.51) FOLH1ALDH1A1GAAPPARGRXRA
SCHEMBL9623299 0.76 PLAU (0.45) RXRARXRBRXRGMRGPRX4NR4A1
SCHEMBL9622907 0.75 PLAU (0.51) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623912 0.75 FOLH1 (0.47) FOLH1PPARGPTGESALOX5MRGPRX4
SCHEMBL9623612 0.75 FOLH1 (0.47) FOLH1PPARGPTGESALOX5MRGPRX4
SCHEMBL28634308 0.74 SMN1; SMN2 (0.46) ALDH1A1GAAPPARGPPARA
SCHEMBL25788096 0.72 PLA2G2A (0.60) ALDH1A1
SCHEMBL28634307 0.70 ALDH1A1 (0.49) ALDH1A1GAAKDM4E
SCHEMBL7792646 0.69 TSHR (0.42) PPARGRXRARXRBRXRGNR4A1

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