SCHEMBL7557372

SCHEMBL7557372

C=CCc1ccc(-c2ccc3cc(/C=C/CCCC(C)F)ccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7557378 1.00 PTGS2 (0.33) PTGS2HDAC1HDAC8ALDH1A1TP53
SCHEMBL7557688 0.93 PTGS2 (0.35) PTGS2HDAC1HDAC8ALDH1A1
SCHEMBL7557685 0.93 PTGS2 (0.35) PTGS2HDAC1HDAC8ALDH1A1
SCHEMBL8600638 0.91 HDAC1 (0.34) HDAC1HDAC8ALDH1A1TP53CYP3A4
SCHEMBL8600637 0.91 HDAC1 (0.34) HDAC1HDAC8ALDH1A1TP53CYP3A4
SCHEMBL7554308 0.89 ALDH1A1 (0.34) PTGS2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7554314 0.89 ALDH1A1 (0.34) PTGS2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8601601 0.89 ALDH1A1 (0.34) PTGS2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8601603 0.89 ALDH1A1 (0.34) PTGS2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8046474 0.89 PTGS2 (0.35) PTGS2HDAC1HDAC8ALDH1A1TP53

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-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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US 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