SCHEMBL18248593

SCHEMBL18248593

CCCCCC=CCC=CCC=CCC=CCCC(Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.52
▸ FAAH O00519 4/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.48
▸ SOAT1 P35610 1/20 0.48
▸ PPARG P37231 3/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HSPD1 P10809 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46

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
SCHEMBL18248544 0.94 EPHX2 (0.53) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL18248575 0.91 FAAH (0.51) EPHX2FAAHCNR1CNR2
SCHEMBL18248569 0.91 FAAH (0.51) EPHX2FAAHCNR1CNR2
SCHEMBL11357056 0.91 FAAH (0.51) EPHX2FAAHCNR1CNR2
SCHEMBL18248541 0.86 EPHX2 (0.53) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL2187591 0.83 CSNK1E (0.55) CNR2
SCHEMBL31512495 0.83 EPHX2 (0.55) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL22558568 0.82 CSNK1E (0.57) —
SCHEMBL28058533 0.82 CSNK1E (0.57) —
SCHEMBL28081007 0.82 CSNK1E (0.57) —

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
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