SCHEMBL8956867

SCHEMBL8956867

CCCC[C@H](C#N)COC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OC[C@@H](C#N)CCCC)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 6/20 0.50
TSHR P16473 4/20 0.50
CYP3A4 P08684 4/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 3/20 0.44
ESR1 P03372 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 2/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC1A5 Q15758 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
CA2 P00918 2/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8956924 0.93 SLC1A5 (0.44) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL9057300 0.87 MAPT (0.49) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL8956700 0.87 MAPT (0.49) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL8956880 0.86 ALDH1A1 (0.46) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL9472302 0.86 ALDH1A1 (0.46) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL8956883 0.86 ALDH1A1 (0.46) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL8956875 0.83 PDGFRB (0.41) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL8956942 0.82 ALDH1A1 (0.45) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL8956819 0.82 ALDH1A1 (0.45) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL15615435 0.81 ALDH1A1 (0.53) ALDH1A1LMNATSHRCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407830-B1 Polarizer HOFFMANN LA ROCHE (CH) 1996-09-25 EP disclosed
US-5486310-A Liquid crystalline mixtures having a chiral tilted smectic phase HOFFMANN-LA ROCHE INC. (US) 1996-01-23 US disclosed
EP-0405346-B1 Bistable ferroelectric liquid cristal display HOFFMANN LA ROCHE (CH) 1995-09-20 EP disclosed
US-5327273-A Bistable ferroelectric liquid crystal display cell HOFFMANN-LA ROCHE INC. (US) 1994-07-05 US disclosed
EP-0339414-B1 Optically active diester HOFFMANN LA ROCHE (CH) 1993-12-01 EP disclosed
US-5242619-A Liquid crystalline mixtures having a chiral tilted smectic phase HOFFMANN-LA ROCHE INC. (US) 1993-09-07 US disclosed