SCHEMBL2588030

SCHEMBL2588030

C=CCC(=O)N1[C@@H](/C=C/C(=O)OC)CC[C@H]1c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MDM2 Q00987 2/20 0.38
TP53 P04637 1/20 0.38
RIPK1 Q13546 1/20 0.36
NR1H4 Q96RI1 2/20 0.34
GRM5 P41594 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CALCRL Q16602 3/20 0.34
CACNA1B Q00975 1/20 0.33

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
SCHEMBL2585816 0.88 RIPK1 (0.37) FFAR2ALDH1A1RIPK1CALCRL
SCHEMBL4502251 0.88 FFAR2 (0.38) FFAR2MDM2TP53RIPK1CACNA1B
SCHEMBL4502256 0.88 FFAR2 (0.38) FFAR2MDM2TP53RIPK1CACNA1B
SCHEMBL3617782 0.88 FFAR2 (0.35) FFAR2MDM2TP53
SCHEMBL2583127 0.88 FFAR2 (0.35) FFAR2MDM2TP53
SCHEMBL4520271 0.86 FFAR2 (0.45) FFAR2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4520273 0.86 FFAR2 (0.45) FFAR2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2584668 0.82 SLC6A2 (0.36) FFAR2ALDH1A1SMN1; SMN2MDM2
SCHEMBL2584669 0.82 SLC6A2 (0.36) FFAR2ALDH1A1SMN1; SMN2MDM2
SCHEMBL2585729 0.82 FFAR2 (0.35) FFAR2RIPK1CALCRL

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