SCHEMBL6459846

SCHEMBL6459846

CCC1CCC2CC(c3ccc(C#N)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.35
KDM1A O60341 4/20 0.35
CHEK1 O14757 2/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
AR P10275 2/20 0.32
EGLN2 Q96KS0 2/20 0.32
USP30 Q70CQ3 1/20 0.32
FASN P49327 1/20 0.32
CTSC P53634 3/20 0.32
CTSK P43235 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
SCHEMBL6459842 1.00 TRPV4 (0.35) TRPV4KDM1ACHEK1TRPC3TRPC6
SCHEMBL5684672 0.94 KDM1A (0.33) TRPV4KDM1ACHEK1TRPC3TRPC6
SCHEMBL6453611 0.90 CYP2C9 (0.34) TRPV4KDM1ACHEK1TRPC3TRPC6
SCHEMBL6453616 0.90 CYP2C9 (0.34) TRPV4KDM1ACHEK1TRPC3TRPC6
SCHEMBL7736721 0.88 TRPV4 (0.37) TRPV4KDM1ACHEK1CYP11B1CYP11B2
SCHEMBL7736726 0.88 TRPV4 (0.37) TRPV4KDM1ACHEK1CYP11B1CYP11B2
SCHEMBL7736719 0.88 TRPV4 (0.37) TRPV4KDM1ACHEK1CYP11B1CYP11B2
SCHEMBL7736716 0.88 TRPV4 (0.37) TRPV4KDM1ACHEK1CYP11B1CYP11B2
SCHEMBL6452656 0.88 KDM1A (0.33) TRPV4KDM1ACHEK1TRPC3TRPC6
SCHEMBL6452651 0.88 KDM1A (0.33) TRPV4KDM1ACHEK1TRPC3TRPC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252202-B2 Nematic liquid crystal composition and bistable nematic liquid crystal display DIC CORPORATION (JP) 2012-08-28 US disclosed
US-8252202-B2 Nematic liquid crystal composition and bistable nematic liquid crystal display DIC CORPORATION (JP) 2012-08-28 US disclosed
US-20110211148-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2011-09-01 US disclosed
US-20110211148-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2011-09-01 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed