SCHEMBL4020826

SCHEMBL4020826

C=CC(C)CC(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
MME P08473 3/20 0.38
GRIK1 P39086 3/20 0.36
GRIK2 Q13002 3/20 0.36
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8147302 0.78
SCHEMBL614363 0.78
SCHEMBL1881329 0.78 SLC22A6 (0.48) TDP1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL14591440 0.78 FOLH1 (0.62) FOLH1MMEGRIK1GRIK2CPA1
SCHEMBL524140 0.78 FOLH1 (0.62) FOLH1MMEGRIK1GRIK2CPA1
SCHEMBL28770632 0.77 FOLH1 (0.39) FOLH1MMEGRIK1GRIK2CPA1
SCHEMBL307076 0.76 MME (0.56) FOLH1MMECPA1CPB1CPA3
SCHEMBL5870523 0.76 MME (0.56) FOLH1MMECPA1CPB1CPA3
SCHEMBL7262370 0.76 MME (0.56) FOLH1MMECPA1CPB1CPA3
SCHEMBL28770363 0.76 FOLH1 (0.38) FOLH1MMEGRIK1GRIK2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563558-B2 Negative resists based on acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-21 US disclosed
US-20080233517-A1 Negative Resists Based on Acid-Catalyzed Elimination of Polar Molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-09-25 US disclosed
US-7393624-B2 Negative resists based on acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-07-01 US disclosed
US-20070259274-A1 Negative resists based on acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-11-08 US disclosed