SCHEMBL9254836

SCHEMBL9254836

CC(C)(C)c1ccc2oc(C(O)COc3ccc(C(=O)O)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
NR4A2 P43354 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
CYP26A1 O43174 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
NR1H4 Q96RI1 3/20 0.41
RXRG P48443 1/20 0.41
PLA2G4B P0C869 1/20 0.40
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRD5A2 P31213 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ADAM17 P78536 1/20 0.39
EPHX2 P34913 2/20 0.38

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
SCHEMBL9263173 0.99 RXRA (0.47) RXRARXRBNR4A2HDAC6CYP26A1
SCHEMBL9260521 0.89 HDAC6 (0.48) HDAC6NR1H4ADAM17EPHX2LMNA
SCHEMBL9263178 0.89 HDAC6 (0.46) RXRARXRBNR4A2HDAC6NR1H4
SCHEMBL9259605 0.88 NR4A2 (0.53) NR4A2HDAC6CYP26A1CYP26B1NR1H4
SCHEMBL9260238 0.85 RXRA (0.45) RXRARXRBNR4A2HDAC6NR1H4
SCHEMBL9255594 0.84 HDAC6 (0.42) RXRARXRBNR4A2HDAC6CYP26A1
SCHEMBL9262883 0.83 HDAC6 (0.43) RXRARXRBNR4A2HDAC6NR1H4
SCHEMBL9251869 0.83 CYP26A1 (0.49) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL9259950 0.83 NR4A2 (0.47) RXRARXRBNR4A2CYP26A1CYP3A4
SCHEMBL9260016 0.83 HDAC6 (0.43) RXRARXRBNR4A2HDAC6NR1H4

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
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US claimed
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US disclosed
EP-0601181-A1 BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-06-15 EP disclosed