SCHEMBL5886517

SCHEMBL5886517

CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)c(C#N)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 2/20 0.37
AR P10275 3/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
XDH P47989 2/20 0.34
DGAT1 O75907 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
IKBKE Q14164 3/20 0.34
TBK1 Q9UHD2 3/20 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
SCHEMBL5886522 1.00 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11047893 0.91 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11047898 0.91 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11111171 0.89 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11111166 0.89 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7062225 0.88 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11104786 0.88 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11104790 0.88 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886472 0.88 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11132047 0.88 ALDH1A1 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP claimed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP claimed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP claimed
US-7112355-B2 Active matrix type liquid crystal display apparatus HITACHI LTD. (JP) 2006-09-26 US disclosed
US-20050084623-A1 Active matrix type liquid crystal display apparatus IPS ALPHA SUPPORT CO., LTD. (JP) 2005-04-21 US disclosed
US-6849309-B2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 2005-02-01 US disclosed
US-6830787-B1 Active matrix liquid crystal display apparatus HITACHI, LTD. (JP) 2004-12-14 US disclosed
US-20030201422-A1 Active matrix type liquid crystal display apparatus HITACHI DISPLAYS, LTD. (JP) 2003-10-30 US disclosed
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP disclosed
EP-0667555-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2002-08-28 EP disclosed
US-20020039162-A1 ACTIVE MATRIX TYPE LIQUID CRYSTAL DISPLAY APPARATUS OHE MASAHITO (JP) 2002-04-04 US disclosed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP disclosed
US-6011606-A Parallel field active matrix type liquid crystal display using liquid crystal having particular electrical properties HITACHI, LTD. (JP) 2000-01-04 US disclosed
US-5910271-A Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1999-06-08 US disclosed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP disclosed
EP-0667555-A1 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-08-16 EP disclosed