SCHEMBL2587020

SCHEMBL2587020

COC(=O)/C=C/[C@H]1CC[C@@H](c2cccc(Cl)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
STS P08842 2/20 0.41
FFAR2 O15552 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PDE5A O76074 1/20 0.38
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.36
MDM2 Q00987 1/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.36
XPO1 O14980 1/20 0.36
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL2588804 0.88 RIPK1 (0.44) RIPK1ALDH1A1PDE5AMAOAMAOB
SCHEMBL3628133 0.88 STS (0.39) RIPK1STSFFAR2
SCHEMBL2581199 0.88 STS (0.39) RIPK1STSFFAR2
SCHEMBL4520273 0.86 FFAR2 (0.45) RIPK1FFAR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL4520271 0.86 FFAR2 (0.45) RIPK1FFAR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL28527618 0.86 RIPK1 (0.45) RIPK1STSFFAR2SMN1; SMN2PDE5A
SCHEMBL2581640 0.85 FFAR2 (0.39) RIPK1FFAR2ALDH1A1
SCHEMBL2584569 0.85 FFAR2 (0.39) RIPK1FFAR2ALDH1A1
SCHEMBL2583332 0.81 RIPK1 (0.37) RIPK1FFAR2
SCHEMBL2588030 0.81 FFAR2 (0.39) RIPK1FFAR2SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed