SCHEMBL3635657

SCHEMBL3635657

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.69
PPARG P37231 5/20 0.66
ALDH1A1 P00352 5/20 0.66
PPARD Q03181 4/20 0.66
PPARA Q07869 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
KDM4E B2RXH2 2/20 0.66
LMNA P02545 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP19A1 P11511 2/20 0.66
FABP4 P15090 2/20 0.66
HPGD P15428 2/20 0.66
ALOX15 P16050 2/20 0.66
NR4A2 P43354 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
AKR1C3 P42330 2/20 0.66
MEN1 O00255 1/20 0.66
USP2 O75604 1/20 0.66
TP53 P04637 1/20 0.66

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
SCHEMBL3635659 1.00 CNR1 (0.69) CNR1PPARGALDH1A1PPARDPPARA
SCHEMBL23646891 1.00 CNR1 (0.69) CNR1PPARGALDH1A1PPARDPPARA
SCHEMBL3775009 0.95 ALDH1A1 (0.67) CNR1PPARGALDH1A1PPARDPPARA
SCHEMBL8736540 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA
SCHEMBL79558 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA
SCHEMBL5032813 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA
SCHEMBL18209381 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA
SCHEMBL18209378 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA
SCHEMBL9003892 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA
SCHEMBL18240158 0.89 EPHX2 (0.64) PPARGALDH1A1PPARDPPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297621-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2018-03-28 EP disclosed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 WO disclosed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 WO disclosed
EP-3095444-A1 A METHOD OF TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2016-11-23 EP disclosed
EP-3095444-A1 A METHOD OF TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2016-11-23 EP disclosed
EP-2150820-A1 ANALYSIS METHOD Surescreen Diagnostics Limited (GB) 2010-02-10 EP disclosed
WO-2008122805-A1 ANALYSIS METHOD SURESCREEN DIAGNOSTICS LIMITED (GB) 2008-10-16 WO disclosed