SCHEMBL11122467

SCHEMBL11122467

C/C(=C\C(C)(C)C)C(=O)O.C/C(=C\C1CCCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 1/20 0.35
ALDH1A1 P00352 2/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
RXRA P19793 1/20 0.31
GABRB3 P28472 1/20 0.31
RXRB P28702 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRG P48443 1/20 0.31
EPHX1 P07099 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
SCHEMBL8961149 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL36412 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL156030 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL5489911 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL8595697 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL1244582 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL1721398 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL111090 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL1245246 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL643109 0.87 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR

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
EP-0044393-B1 PROCESS FOR PREPARING A(N) (METH)ACRYLIC RESIN MODIFIED WITH EPSILON-CAPROLACTONE AND HAVING HYDROXYL GROUPS Degussa Aktiengesellschaft (DE) 1984-09-19 EP disclosed
EP-0044393-A2 Process for preparing a(n) (meth)acrylic resin modified with epsilon-caprolactone and having hydroxyl groups Degussa Aktiengesellschaft (DE) 1982-01-27 EP disclosed