SCHEMBL9501232

SCHEMBL9501232

CCCCCCCC(Br)c1ccc(Oc2ccc(C(Br)CCCCCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.47
LTA4H P09960 4/20 0.43
NR5A1 Q13285 1/20 0.37
NR1I2 O75469 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
LMNA P02545 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL28771735 0.93 LTA4H (0.44) SLC2A1LTA4HLMNA
SCHEMBL7315741 0.85 LTA4H (0.38) SLC2A1LTA4H
SCHEMBL25423895 0.80 SLC2A1 (0.49) SLC2A1LTA4HNR5A1NR1I2LMNA
SCHEMBL6682760 0.80 MMP13 (0.44) SLC2A1MMP9MMP13MMP2MMP3
SCHEMBL28063717 0.80 ESR1 (0.48) LTA4HNR5A1LMNALCKPPARD
SCHEMBL8728015 0.79 HTR2A (0.45) LCKPPARDZDHHC20ZDHHC2PRSS1
SCHEMBL6681848 0.79 HTR2A (0.45) LCKPPARDZDHHC20ZDHHC2PRSS1
SCHEMBL6685358 0.79 HTR2A (0.45) LCKPPARDZDHHC20ZDHHC2PRSS1
SCHEMBL7573099 0.79 HTR2A (0.45) LCKPPARDZDHHC20ZDHHC2PRSS1
SCHEMBL14636124 0.79 HTR2A (0.45) LCKPPARDZDHHC20ZDHHC2PRSS1

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-5230830-A Ferroelectricity THE SECRTEARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-07-27 US disclosed
EP-0391956-B1 CYANOHYDRIN DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES SECR DEFENCE BRIT (GB) 1993-04-21 EP disclosed
US-5133896-A Cyanohyorin derivatives and their use in liquid crystal materials and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-07-28 US disclosed
EP-0391956-A1 CYANOHYDRIN DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES. SECR DEFENCE BRIT (GB) 1990-10-17 EP disclosed
WO-1989005792-A1 CYANOHYDRIN DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1989-06-29 WO disclosed