SCHEMBL9408337

SCHEMBL9408337

C=CCC(C(=O)O)[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
USP30 Q70CQ3 4/20 0.36
P2RY14 Q15391 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD11B1 P28845 1/20 0.34
PANK3 Q9H999 1/20 0.34
EP300 Q09472 2/20 0.34
MDM2 Q00987 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SCD5 Q86SK9 1/20 0.32
FASN P49327 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL9408329 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3USP30P2RY14
SCHEMBL9408444 0.96 GRIA1 (0.45) GRIA1GRIA2GRIA3USP30P2RY14
SCHEMBL9408438 0.96 GRIA1 (0.45) GRIA1GRIA2GRIA3USP30P2RY14
SCHEMBL9408221 0.85 USP5 (0.35) FFAR4SIGMAR1
SCHEMBL9408289 0.84 SLC6A2 (0.36) P2RY14FFAR4
SCHEMBL9408278 0.84 SLC6A2 (0.36) P2RY14FFAR4
SCHEMBL9408392 0.84 CCR2 (0.37) SIGMAR1
SCHEMBL9408335 0.84 IDO1 (0.40)
SCHEMBL9408243 0.83 KDM1A (0.37) PANK3FASN
SCHEMBL9408187 0.82 FFAR4 (0.35) FFAR4

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-0595144-A1 Cyclohexyl alkenoates as components of liquid crystalline mixtures F. HOFFMANN-LA ROCHE AG (CH) 1994-05-04 EP disclosed