SCHEMBL9258905

SCHEMBL9258905

CC(=O)OC(COc1ccc(C(=O)O)cc1)c1cc2cc(C(C)C)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
NR1H4 Q96RI1 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
PLA2G4B P0C869 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
RXRG P48443 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL9264408 0.86 NPC1 (0.39) RXRARXRBMRGPRX4KDM4ENPC1
SCHEMBL9251869 0.85 CYP26A1 (0.49) RXRARXRBNR1H4MRGPRX4CYP26A1
SCHEMBL9260238 0.84 RXRA (0.45) RXRARXRBNR1H4NPC1RAB9A
SCHEMBL9259656 0.84 CYP26A1 (0.48) RXRARXRBNR1H4MRGPRX4CYP26A1
SCHEMBL9258204 0.84 CYP26A1 (0.48) RXRARXRBNR1H4MRGPRX4CYP26A1
SCHEMBL9262883 0.75 HDAC6 (0.43) RXRARXRBNR1H4PLA2G4BRXRG
SCHEMBL9261977 0.75 HDAC6 (0.46) NR1H4NPC1RAB9AMAPT
SCHEMBL9259665 0.74 CYP26A1 (0.38) RXRARXRBNR1H4MRGPRX4CYP26A1
SCHEMBL9258210 0.74 CYP26A1 (0.38) RXRARXRBNR1H4MRGPRX4CYP26A1
SCHEMBL9255150 0.74 GAA (0.46) CYP26A1CYP3A4CYP26B1NPC1POLB

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