SCHEMBL2118142

SCHEMBL2118142

C=C(C)C(=O)OC(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.38
CTSL P07711 6/20 0.36
CTSB P07858 6/20 0.36
CTSH P09668 5/20 0.35
IDO1 P14902 1/20 0.34
EPHX1 P07099 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17222368 0.98 CTSK (0.35) CTSKCTSLCTSBCTSHIDO1
SCHEMBL11859113 0.84 EPHX1 (0.36) IDO1EPHX1ALDH1A1NPSR1
SCHEMBL23494341 0.82 ALDH1A1 (0.35) EPHX1ALDH1A1NPSR1
SCHEMBL1309702 0.82 TSHR (0.35) EPHX1ALDH1A1NPSR1
SCHEMBL5835238 0.81 CTSK (0.36) CTSKCTSLCTSBCTSHIDO1
SCHEMBL15836475 0.80 TSHR (0.35) IDO1EPHX1ALDH1A1NPSR1
SCHEMBL15836471 0.78 TSHR (0.36) EPHX1ALDH1A1NPSR1
Ethylene Glycol SCHEMBL8664958 0.78 TSHR (0.44) EPHX1ALDH1A1NPSR1
SCHEMBL8407107 0.76 ALDH1A1 (0.37) EPHX1ALDH1A1NPSR1
SCHEMBL5680226 0.76 TSHR (0.38) CTSKCTSLCTSBEPHX1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815490-B2 Radiation-sensitive resin composition, polymer, and method for forming resist pattern JSR CORPORATION (JP) 2014-08-26 US disclosed
US-20120094234-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-04-19 US disclosed