SCHEMBL9259950

SCHEMBL9259950

O=C(O)c1ccc(OCC(O)c2cc3cc(Cl)ccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TTR P02766 1/20 0.43
CYP26A1 O43174 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
PLA2G4A P47712 1/20 0.42
ALOX5 P09917 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
PLA2G4B P0C869 1/20 0.40
MAPT P10636 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
SCHEMBL9256666 0.87 MAPT (0.45) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL9263450 0.84 PKM (0.47) NR4A2GPR35CYP26A1CYP3A4CYP26B1
SCHEMBL9251869 0.84 CYP26A1 (0.49) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL9259656 0.83 CYP26A1 (0.48) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL9258204 0.83 CYP26A1 (0.48) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL9254836 0.83 RXRA (0.48) NR4A2RXRARXRBRXRGCYP26A1
SCHEMBL9263173 0.82 RXRA (0.47) NR4A2RXRARXRBRXRGCYP26A1
SCHEMBL9262098 0.78 TAS1R3 (0.38) ALOX5MEN1KMT2ATAS1R3TAS1R1
SCHEMBL11546333 0.73 CYP1A2 (0.65) NR4A2RXRARXRBRXRGCYP1A2
SCHEMBL9258210 0.73 CYP26A1 (0.38) RXRARXRBKDM4ECYP2C9GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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