SCHEMBL7188322

SCHEMBL7188322

CCC(C)(c1ccc(OC2CCCO2)cc1)c1ccc(OC2CCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
HPGD P15428 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 1/20 0.34
MAOB P27338 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16745539 0.88 HRH3 (0.45) MAPTMAOBHRH3NPC1RAB9A
SCHEMBL4376347 0.84 HPGD (0.46) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL7231933 0.80 NPY1R (0.54) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL19117745 0.80 DDB1 (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1457107 0.80 NPY1R (0.43) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL4382295 0.80 MEN1 (0.45) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL15049914 0.78 HPGD (0.47) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL4378071 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL14646596 0.77 NPY1R (0.44) ALDH1A1KDM4ENPY1RNPY2RNPY4R
SCHEMBL18592577 0.77 CYP3A4 (0.43) ALDH1A1KDM4ENPY1RNPY2RNPY4R

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
US-6586152-B1 Useful as an ingredient of a resist composition used for preparation of semiconductor devices and the like, which comprises a compound shown by the following general formula useful as an ingredient of a resist composition used for WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed