SCHEMBL8517224

SCHEMBL8517224

CCCOC1(C#N)C=CC(c2ccccc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM1A O60341 2/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GLA P06280 3/20 0.31
GAA P10253 3/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3480933 0.90 PPARG (0.35) TSHRMAPK1KDM4EALDH1A1GLA
SCHEMBL5309648 0.89 PPARG (0.37) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL10336321 0.89 PPARG (0.37) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL10427477 0.89 PPARG (0.37) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL8450875 0.89 PPARG (0.37) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL7243762 0.85
SCHEMBL7251646 0.83
SCHEMBL6688504 0.81
SCHEMBL7941733 0.79 MAPT (0.36) ALDH1A1MAPTKMT2AMEN1
SCHEMBL10599695 0.77 KDM1A (0.32) KDM1AKMT2AMEN1HSD17B10

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-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0452460-B1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1995-01-18 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0452460-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM. MERCK PATENT GMBH (DE) 1991-10-23 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed
EP-0348480-A1 DISPERSION OF LIQUID CRYSTAL DROPLETS IN A PHOTOPOLYMERIZED MATRIX, AND DEVICES MADE THEREFROM. HUGHES AIRCRAFT CO (US) 1990-01-03 EP disclosed
WO-1989006264-A1 DISPERSION OF LIQUID CRYSTAL DROPLETS IN A PHOTOPOLYMERIZED MATRIX, AND DEVICES MADE THEREFROM HUGHES AIRCRAFT COMPANY (US) 1989-07-13 WO disclosed
EP-0310676-A1 LIQUID-CRYSTAL DERIVATIVES OF 2,5-DISUBSTITUTED PYRIDINE AS COMPONENTS OF LIQUID-CRYSTAL MATERIAL, AND A LIQUID-CRYSTAL MATERIAL PAVLJUCHENKO, Assya Iosifovna (RU) 1989-04-12 EP disclosed