SCHEMBL9408378

SCHEMBL9408378

C=CC(C(=O)O)C1CCC([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ HSD11B1 P28845 1/20 0.38
▸ USP30 Q70CQ3 4/20 0.38
▸ P2RY14 Q15391 1/20 0.37
▸ EP300 Q09472 2/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ FASN P49327 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ EGLN3 Q9H6Z9 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
SCHEMBL9408388 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9408211 0.96 GRIA1 (0.44) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9408206 0.96 GRIA1 (0.44) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9408293 0.83 NPC1 (0.34) P2RY14
SCHEMBL9408302 0.83 NPC1 (0.34) P2RY14
SCHEMBL9408288 0.83 DPP4 (0.37) —
SCHEMBL9408244 0.83 BCL2L1 (0.39) HSD11B1
SCHEMBL9408253 0.83 HDAC2 (0.35) —
SCHEMBL9408337 0.82 GRIA1 (0.42) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9408329 0.82 GRIA1 (0.42) GRIA1GRIA2GRIA3HSD11B1USP30

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
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