SCHEMBL16348376

SCHEMBL16348376

CC(C)OCc1coc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
IDO1 P14902 3/20 0.35
PPARA Q07869 5/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 4/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL16348331 0.86 S1PR4 (0.39) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL16348400 0.84 KDM4E (0.38) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL16348343 0.80 PTPN11 (0.48) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL16348378 0.80 P2RX7 (0.42) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL16348399 0.77 PPARG (0.47) PPARAFFAR1PPARGTSHR
SCHEMBL16348437 0.76 PPARA (0.47) DRD2DRD4DRD3PPARAPPARG
SCHEMBL5116066 0.75 CA2 (0.44) EPHX2DRD2DRD4DRD3FFAR1
SCHEMBL14098695 0.75 MAPT (0.45) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL16348440 0.75 PPARA (0.41) PPARAFFAR1PPARGCASP3SENP8
SCHEMBL16348379 0.74 EPHX2 (0.44) EPHX2IDO1KDM4ENPC1LMNA

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-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed