SCHEMBL9623299

SCHEMBL9623299

CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1OCCOc1c(C(C)(C)C)cc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 1/20 0.42
PLA2G2A P14555 1/20 0.41
TNFRSF1A P19438 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
RARA P10276 3/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
PKM P14618 1/20 0.38
TPMT P51580 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
NR4A2 P43354 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 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
SCHEMBL7792646 0.87 TSHR (0.42) RXRARXRBRXRGPLA2G2ATNFRSF1A
SCHEMBL25788281 0.87 PLAU (0.39) PLAURXRARXRBRXRGPLA2G2A
SCHEMBL25788096 0.87 PLA2G2A (0.60) PLA2G2ARARB
SCHEMBL25790313 0.85 PLAU (0.37) PLAURXRARXRBRXRGPLA2G2A
SCHEMBL8903140 0.84 TNFRSF1A (0.40) RXRARXRBRXRGTNFRSF1AGLRA3
SCHEMBL9179855 0.81 RARG (0.41) RXRARXRBRXRGTNFRSF1ARARA
SCHEMBL3637333 0.81 TNFRSF1A (0.56) TNFRSF1AGLRA3GLRBRARARARB
SCHEMBL7792214 0.78 RXRA (0.39) RXRARXRBRXRGPLA2G2AMRGPRX4
SCHEMBL9396541 0.78 TSHR (0.44) TNFRSF1AGLRA3GLRBRARARARB
SCHEMBL27989410 0.77 VCAM1 (0.45) RXRARXRBRXRGTNFRSF1AGLRA3

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