SCHEMBL8326945

SCHEMBL8326945

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(CN(CC(F)(F)F)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SNCA P37840 2/20 0.38
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.36
VCAM1 P19320 1/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.34
MET P08581 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8327876 0.91 POLB (0.44) SNCAPOLBLMNAALDH1A1
SCHEMBL8327873 0.91 POLB (0.44) SNCAPOLBLMNAALDH1A1
SCHEMBL8329755 0.85 KMT2A (0.40) KMT2AMEN1SNCAATMTHRB
SCHEMBL8327800 0.84 ALOX15 (0.38)
SCHEMBL6948552 0.84 KMT2A (0.44) KMT2AMEN1ATMTHRBVCAM1
SCHEMBL6948474 0.84 MAPT (0.43) KMT2AMEN1SNCAATMTHRB
SCHEMBL6655650 0.83 KMT2A (0.43) KMT2AMEN1ATMTHRBVCAM1
SCHEMBL17973714 0.81 VCAM1 (0.46) KMT2AMEN1SNCAATMTHRB
SCHEMBL6378052 0.81 ALDH1A1 (0.47) KMT2ASNCATHRBHTTPOLB
SCHEMBL17957714 0.80 VCAM1 (0.45) KMT2AMEN1SNCAVCAM1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed