SCHEMBL17740487

SCHEMBL17740487

CCCCC1CCC(c2cc(F)c(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PTGES O14684 1/20 0.32
TOP2A P11388 1/20 0.32
NAAA Q02083 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GRM2 Q14416 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
PTPN1 P18031 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 0.94 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNANPSR1
SCHEMBL8013864 0.90 PARP10 (0.35) PTGESTOP2A
SCHEMBL17740482 0.89 GRM2 (0.32) NPSR1GRM2TSHRTDP1L3MBTL1
SCHEMBL8066401 0.88 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNATP53
SCHEMBL8066404 0.88 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNATP53
SCHEMBL8011810 0.87 PARP10 (0.34) PTGESTOP2A
SCHEMBL8011813 0.87 PARP10 (0.34) PTGESTOP2A
SCHEMBL8017208 0.87 PARP10 (0.35) PTGESTOP2A
SCHEMBL8011158 0.86 PARP10 (0.34) PTPN1
SCHEMBL8022921 0.86 PARP10 (0.34) PTPN1

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