SCHEMBL3437356

SCHEMBL3437356

CCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.40
NAAA Q02083 1/20 0.40
PDE2A O00408 6/20 0.38
EPHX2 P34913 7/20 0.36
S1PR1 P21453 1/20 0.35
GRM2 Q14416 3/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL9062319 1.00 CTSK (0.40) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL17208631 0.94 CTSK (0.39) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL16258049 0.93 PDE2A (0.38) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL9061782 0.91 CYP2C9 (0.43) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL9061783 0.91 CYP2C9 (0.43) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL12566048 0.90 PDE2A (0.40) PDE2AEPHX2
SCHEMBL9061876 0.89 CTSK (0.39) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL9061882 0.89 CTSK (0.39) CTSKNAAAPDE2AEPHX2S1PR1
SCHEMBL6455978 0.89 CTSK (0.39) CTSKNAAAPDE2AEPHX2GRM2
SCHEMBL6455969 0.89 CTSK (0.39) CTSKNAAAPDE2AEPHX2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210222067-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-07-22 US disclosed
US-20120097895-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-04-26 US disclosed
US-20120097895-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-04-26 US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed