SCHEMBL18248554

SCHEMBL18248554

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
SOAT1 P35610 2/20 0.65
CNR1 P21554 5/20 0.62
CYP3A4 P08684 2/20 0.56
MEN1 O00255 1/20 0.56
FAAH O00519 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 4/20 0.56
F7 P08709 3/20 0.56
F3 P13726 3/20 0.56
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
FABP3 P05413 2/20 0.56
DUSP3 P51452 1/20 0.56
PTPN7 P35236 1/20 0.56
FFAR1 O14842 1/20 0.56

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
SCHEMBL28504984 1.00 KDM4E (0.65) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL29689655 1.00 KDM4E (0.65) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL9238140 0.97 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL20303229 0.97 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL10800485 0.97 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL6283769 0.97 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL379106 0.97 FAAH (0.59) KDM4ESOAT1CNR1CYP3A4MEN1
SCHEMBL17629191 0.87 ALDH1A1 (0.60) KDM4ESOAT1CYP3A4MEN1TP53
SCHEMBL1331618 0.87 ALDH1A1 (0.60) KDM4ESOAT1CYP3A4MEN1TP53
SCHEMBL28502905 0.87 ALDH1A1 (0.60) KDM4ESOAT1CYP3A4MEN1TP53

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-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