SCHEMBL13293545

SCHEMBL13293545

CCC(CC(C)C)C(=O)OC(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.36
CPA1 P15085 1/20 0.36
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSK P43235 1/20 0.33
MME P08473 1/20 0.32
SLC1A1 P43005 1/20 0.31
KISS1R Q969F8 3/20 0.31
RNPEP Q9H4A4 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
SLC7A5 Q01650 1/20 0.30
LAP3 P28838 1/20 0.30

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
SCHEMBL10087761 0.87 CA2 (0.38) BIRC2SLC1A3SLC1A2CA1CA2
SCHEMBL17878558 0.82 BIRC2 (0.37) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL13541257 0.77 CPA1 (0.44) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL17532256 0.77 CA1 (0.55) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL17617124 0.77 CPA1 (0.44) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL13885559 0.77 CA1 (0.55) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL13555039 0.77 CPA1 (0.44) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL16065466 0.76 CA1 (0.34) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL17878560 0.76 PRKCA (0.40) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL6895854 0.75 HDAC1 (0.44) SLC1A3SLC1A2CA1CA2CTSK

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
EP-2194073-A1 POSITIVE-WORKING PHOTOSENSITIVE COMPOSITION, METHOD FOR PATTERN FORMATION USING THE COMPOSITION, AND RESIN FOR USE IN THE COMPOSITION Fujifilm Corporation (JP) 2010-06-09 EP disclosed