SCHEMBL9475342

SCHEMBL9475342

CC(=O)O[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
FASN P49327 5/20 0.40
USP30 Q70CQ3 4/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PANK3 Q9H999 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FAAH O00519 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL9475349 1.00 HSD11B1 (0.43) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL8725472 0.96 HSD11B1 (0.41) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL8725475 0.96 HSD11B1 (0.41) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL8725467 0.96 HSD11B1 (0.41) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL11617857 0.84 GRIA1 (0.43) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL11617855 0.83 L3MBTL1 (0.46) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL11621020 0.82 SLC18A3 (0.43) HSD11B1GRIA1GRIA2GRIA3FASN
SCHEMBL4558845 0.81 ESR2 (0.55)
SCHEMBL5246202 0.81 ESR2 (0.55)
SCHEMBL11618813 0.80 NAAA (0.46) HSD11B1GRIA1GRIA2GRIA3FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202055-A Liquid crystals CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0360080-B1 AN ALKENYL ETHER COMPOUND AND A COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1993-03-03 EP disclosed
EP-0360080-A1 An alkenyl ether compound and a composition containing the same CHISSO CORPORATION (JP) 1990-03-28 EP disclosed