SCHEMBL756035

SCHEMBL756035

CCC(OC)c1cc(Cc2ccc(F)cc2)c(C(=O)NCOC)o1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PPARG P37231 2/20 0.33
EPHX2 P34913 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL756034 0.84 TP53 (0.39) LMNANPSR1THRBTP53MAPT
SCHEMBL754069 0.82 MMP3 (0.41) LMNANPSR1MAPTCNR1CNR2
SCHEMBL2484219 0.81 ALDH1A1 (0.39) LMNATHRBTP53MAPTCNR1
SCHEMBL27756470 0.78 MAPK14 (0.36) LMNANPSR1THRBTP53MAPT
SCHEMBL756036 0.77 MAPK14 (0.36) LMNANPSR1THRBTP53MAPT
SCHEMBL753007 0.77 MAPK14 (0.35) LMNANPSR1THRBCNR1CNR2
SCHEMBL752953 0.72 CCNT1 (0.35) LMNACNR1CNR2SMN1; SMN2GPR55
SCHEMBL755566 0.65 L3MBTL1 (0.38) LMNATP53MAPTPOLBSMN1; SMN2
SCHEMBL6810475 0.65 EGLN1 (0.42) LMNANPSR1THRBTP53MAPT
SCHEMBL2486131 0.64 KLKB1 (0.49) LMNANPSR1THRBTP53MAPT

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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed