SCHEMBL13380353

SCHEMBL13380353

CCC(C)c1ccc(OCCCC(=O)OC2C3CC4CC2CC(C)(C4)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.34
HSP90AA1 P07900 1/20 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
SCHEMBL13380352 0.95 ALDH1A1 (0.42) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380295 0.89 ALDH1A1 (0.49) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380340 0.87 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380346 0.84 MEN1 (0.47) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380342 0.82 ALDH1A1 (0.47) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL11948970 0.78 EPHX2 (0.36) EPHX2
SCHEMBL13380354 0.78 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380274 0.75 ALDH1A1 (0.56) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380347 0.75 MEN1 (0.46) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL13380299 0.73 ALDH1A1 (0.50) 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