SCHEMBL7557685

SCHEMBL7557685

C=CCc1ccc2cc(-c3ccc(/C=C/CCCC(C)F)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
ALOX5 P09917 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
GABRA1 P14867 1/20 0.30
CNR2 P34972 1/20 0.30
GABRB2 P47870 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
SCHEMBL7557688 1.00 PTGS2 (0.35) PTGS2ALOX5ALDH1A1PPARGPPARD
SCHEMBL7557372 0.93 PTGS2 (0.33) PTGS2ALDH1A1HDAC1HDAC8
SCHEMBL7557378 0.93 PTGS2 (0.33) PTGS2ALDH1A1HDAC1HDAC8
SCHEMBL8600637 0.91 HDAC1 (0.34) ALOX5ALDH1A1PPARGPPARDPPARA
SCHEMBL8600638 0.91 HDAC1 (0.34) ALOX5ALDH1A1PPARGPPARDPPARA
SCHEMBL8601603 0.89 ALDH1A1 (0.34) PTGS2ALOX5ALDH1A1
SCHEMBL7554308 0.89 ALDH1A1 (0.34) PTGS2ALOX5ALDH1A1
SCHEMBL8601601 0.89 ALDH1A1 (0.34) PTGS2ALOX5ALDH1A1
SCHEMBL7554314 0.89 ALDH1A1 (0.34) PTGS2ALOX5ALDH1A1
SCHEMBL8051878 0.89 PTGS2 (0.37) PTGS2ALOX5ALDH1A1PPARGPPARD

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
EP-0708165-B1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2002-01-09 EP disclosed
US-6246452-B1 FERROELECTRIC CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE HAVING IMPROVED RESPONSE SPEED WHICH CAN BE USED AS AN OPTICAL SHUTTER OR DISPLAY DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-12 US disclosed
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
EP-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed