SCHEMBL9848736

SCHEMBL9848736

CCc1oc(CCCO)nc1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.52
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CACNA1G O43497 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9440740 0.94 SIRT2 (0.47) SIRT2RXRARXRBRXRGNPSR1
SCHEMBL9848741 0.84 SIRT2 (0.54) SIRT2RXRARXRBRXRGNPSR1
SCHEMBL1363162 0.78 SIRT2 (0.49) SIRT2RXRARXRBRXRGNPSR1
SCHEMBL10833341 0.75 RXRA (0.37) SIRT2RXRARXRBRXRGALDH1A1
SCHEMBL9440752 0.74 RXRA (0.33) SIRT2RXRARXRBRXRGNPSR1
SCHEMBL10834256 0.74 RXRA (0.58) RXRARXRBRXRGALDH1A1HTT
SCHEMBL5212038 0.73 RXRA (0.60) RXRARXRBRXRGALDH1A1CACNA1G
SCHEMBL5207120 0.72 NR4A2 (0.48) RXRARXRBRXRGCACNA1GMEN1
SCHEMBL963990 0.71 SIRT2 (0.40) SIRT2RXRARXRBRXRGNPSR1
SCHEMBL5206850 0.70 RXRA (0.46) RXRARXRBRXRGALDH1A1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP claimed