SCHEMBL3430185

SCHEMBL3430185

C=C(CCCCOCC1(CC)COC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL3431696 0.96 TSHR (0.33) TSHRMEN1KMT2ACTSK
SCHEMBL22966061 0.84 ALDH1A1 (0.43) TSHRMEN1KMT2A
SCHEMBL3430193 0.83 EPHX1 (0.32)
SCHEMBL35991 0.80 TSHR (0.33) TSHR
SCHEMBL3426696 0.79 TBXAS1 (0.32)
SCHEMBL17696339 0.79 TSHR (0.39) TSHRKMT2AEPHX2
SCHEMBL3431291 0.78 EPHX1 (0.32)
SCHEMBL12677034 0.78 ALDH1A1 (0.33) TSHR
SCHEMBL14655776 0.78 ALDH1A1 (0.33) TSHR
SCHEMBL1594114 0.78 ALDH1A1 (0.33) TSHR

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-20100210801-A1 COPOLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-19 US disclosed