SCHEMBL17740482

SCHEMBL17740482

CCC1CCC(c2cc(F)c(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
FASN P49327 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
USP14 P54578 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17740486 0.91 CYP2C9 (0.39) GRM2FASNNPSR1L3MBTL1USP14
SCHEMBL17740487 0.89 CYP2C9 (0.33) GRM2NPSR1L3MBTL1TSHRTDP1
SCHEMBL8014442 0.89 PARP10 (0.38)
SCHEMBL8014445 0.89 PARP10 (0.38)
SCHEMBL91899 0.87 ESR2 (0.31) NPSR1USP14TSHR
SCHEMBL8011638 0.86 PARP10 (0.36)
SCHEMBL8011637 0.86 PARP10 (0.36)
SCHEMBL18499519 0.84 PARP10 (0.33)
SCHEMBL10893371 0.84 TRPV4 (0.39) GRM2FASNKDM4E
SCHEMBL10893376 0.84 TRPV4 (0.39) GRM2FASNKDM4E

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-10011773-B2 Liquid crystal display device DIC CORPORATION (JP) 2018-07-03 US disclosed
US-9809752-B2 Liquid crystal display device DIC CORPORATION (JP) 2017-11-07 US disclosed
US-20160215217-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160215217-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160130502-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-05-12 US disclosed