SCHEMBL2586545

SCHEMBL2586545

CCOC(=O)C=C[C@@]1(C(C)(C)C)CC[C@@H](c2c(F)cc(F)cc2F)N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.34
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
RIPK1 Q13546 1/20 0.32
OPRL1 P41146 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4514524 0.72 XPO1 (0.36) XPO1ALDH1A1TDP1LMNACYP3A4
SCHEMBL4506176 0.72 XPO1 (0.36) XPO1ALDH1A1TDP1LMNACYP3A4
SCHEMBL2586542 0.68 DPP4 (0.34) XPO1ALDH1A1TDP1RIPK1L3MBTL1
SCHEMBL2587429 0.66 TDP1 (0.34) XPO1ALDH1A1TDP1LMNAMAPT
SCHEMBL19224612 0.63 XPO1 (0.37) XPO1CYP3A4MAPTMAPK1
SCHEMBL9889446 0.62 CYP3A4 (0.50) XPO1ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL3086685 0.61 L3MBTL1 (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL2936109 0.61 L3MBTL1 (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL15282398 0.60 CYP3A4 (0.48) XPO1CYP3A4MAPT
SCHEMBL15282396 0.60 CYP3A4 (0.48) XPO1CYP3A4MAPT

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