SCHEMBL9418732

SCHEMBL9418732

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.53
FFAR3 O14843 1/20 0.36
GRIK2 Q13002 3/20 0.32
TET2 Q6N021 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
EPHX2 P34913 1/20 0.30
PPARG P37231 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
SCHEMBL14723746 1.00 GRIK1 (0.53) GRIK1FFAR3GRIK2TET2KDM4E
SCHEMBL395188 0.81 GRIK1 (0.50) GRIK1FFAR3GRIK2TET2TSHR
SCHEMBL7174695 0.80 GRIK1 (0.53) GRIK1GRIK2TET2KDM4ETSHR
SCHEMBL4829822 0.78 GRIK1 (0.52) GRIK1GRIK2TET2KDM4ETSHR
SCHEMBL14280076 0.78 GRIK1 (0.52) GRIK1GRIK2TET2KDM4ETSHR
SCHEMBL2418563 0.78 FFAR3 (0.35) GRIK1FFAR3GRIK2KDM4ETSHR
SCHEMBL500575 0.78 FFAR3 (0.35) GRIK1FFAR3GRIK2KDM4ETSHR
SCHEMBL2418566 0.78 FFAR3 (0.35) GRIK1FFAR3GRIK2KDM4ETSHR
SCHEMBL500576 0.78 FFAR3 (0.35) GRIK1FFAR3GRIK2KDM4ETSHR
Hydrochloric Acid SCHEMBL27563634 0.76 GRIK1 (0.33) GRIK1FFAR3GRIK2EPHX2PPARG

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-0603965-A2 Modified block copolymers and process for the preparation thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-06-29 EP disclosed