SCHEMBL13380293

SCHEMBL13380293

CCCCCCC1(OC(=O)COc2ccc(C(C)CC)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G4B P0C869 1/20 0.35
EPHX2 P34913 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
SCHEMBL13380278 0.99 ALDH1A1 (0.47) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380275 0.96 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380277 0.92 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380338 0.91 ALDH1A1 (0.43) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380322 0.89 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL6367571 0.88 ALDH1A1 (0.53) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380291 0.88 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380311 0.86 ALDH1A1 (0.45) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380281 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13380286 0.85 ALDH1A1 (0.49) ALDH1A1TSHRMAPTMEN1KMT2A

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