SCHEMBL18248558

SCHEMBL18248558

CCCCCCCCC=CCCCCCCC(C(N)=O)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.43
SOAT2 O75908 1/20 0.43
FAAH O00519 7/20 0.41
EPHX2 P34913 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES1 P23141 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL18248648 1.00 SOAT1 (0.43) SOAT1SOAT2FAAHEPHX2KDM4E
SCHEMBL18248499 0.93 NAAA (0.41) CNR2ALDH1A1
SCHEMBL18248614 0.93 NAAA (0.41) CNR2ALDH1A1
SCHEMBL18248623 0.92 CNR1 (0.44) SOAT1FAAHEPHX2KDM4ECYP3A4
SCHEMBL11862095 0.83 SOAT1 (0.46) SOAT1SOAT2FAAHEPHX2KDM4E
SCHEMBL11862111 0.83 SOAT1 (0.46) SOAT1SOAT2FAAHEPHX2KDM4E
SCHEMBL11593762 0.81 KDM4E (0.49) SOAT1SOAT2FAAHEPHX2KDM4E
SCHEMBL11858316 0.80 KDM4E (0.48) SOAT1SOAT2FAAHEPHX2KDM4E
SCHEMBL18248567 0.80 SOAT1 (0.43) SOAT1SOAT2FAAHEPHX2KDM4E
SCHEMBL18248557 0.80 SOAT1 (0.43) SOAT1SOAT2FAAHEPHX2KDM4E

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 4 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 claimed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 WO claimed
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