SCHEMBL13380347

SCHEMBL13380347

CCC(C)c1ccc(OCCCC(=O)OC2(C)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACACB O00763 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
SCHEMBL13380349 0.94 ALDH1A1 (0.45) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13133064 0.88 ALDH1A1 (0.53) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380354 0.85 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380351 0.83 ALDH1A1 (0.45) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380340 0.80 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13137712 0.79 CYP17A1 (0.42) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380350 0.79 ALDH1A1 (0.41) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380299 0.78 ALDH1A1 (0.50) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380346 0.77 MEN1 (0.47) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL6367571 0.76 ALDH1A1 (0.53) MEN1KMT2ATDP1ALDH1A1TSHR

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-20100081085-A1 Polymer and Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed