SCHEMBL10795652

SCHEMBL10795652

CCCCCCC#Cc1ccccc1/C=C/CCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.54
CYSLTR1 Q9Y271 3/20 0.54
HMGCR P04035 5/20 0.50
CYP3A4 P08684 3/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX12 P18054 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PTPN7 P35236 4/20 0.47
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
TOP1 P11387 2/20 0.46
PPARG P37231 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL10795660 1.00 CYSLTR2 (0.54) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR
SCHEMBL10795247 0.82 CYSLTR2 (0.65) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR
SCHEMBL10797605 0.82 CYSLTR2 (0.65) CYSLTR2CYSLTR1CYP3A4KDM4EALDH1A1
SCHEMBL10794942 0.82 CYSLTR2 (0.65) CYSLTR2CYSLTR1CYP3A4KDM4EALDH1A1
SCHEMBL10794950 0.82 CYSLTR2 (0.65) CYSLTR2CYSLTR1CYP3A4KDM4EALDH1A1
SCHEMBL4947296 0.82 CYP3A4 (0.54) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR
SCHEMBL29941829 0.82 CYP3A4 (0.54) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR
SCHEMBL4947304 0.82 CYP3A4 (0.54) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR
SCHEMBL10980153 0.82 CYP3A4 (0.54) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR
SCHEMBL10978168 0.82 CYP3A4 (0.54) CYSLTR2CYSLTR1HMGCRCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207599-A1 Arachidonic acid analogues BEECHAM GROUP PLC (GB) 1987-01-07 EP claimed
EP-0207599-A1 Arachidonic acid analogues BEECHAM GROUP PLC (GB) 1987-01-07 EP disclosed