SCHEMBL13380342

SCHEMBL13380342

CCC(C)c1ccc(OCCC(=O)OC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ACACB O00763 2/20 0.38
MAPT P10636 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
SCHEMBL13380340 0.94 MEN1 (0.48) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380346 0.93 MEN1 (0.47) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380274 0.88 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380352 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380353 0.82 MEN1 (0.43) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380344 0.81 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380351 0.80 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380349 0.80 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL18356738 0.79 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13380348 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2ATDP1

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