SCHEMBL9022136

SCHEMBL9022136

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.79
CACNA1D Q01668 5/20 0.79
CACNA1S Q13698 5/20 0.79
CACNA1C Q13936 5/20 0.79
GUSB P08236 1/20 0.69
NR3C2 P08235 1/20 0.56
ADORA3 P0DMS8 1/20 0.55
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL7272338 0.95 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL11858901 0.95 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9503033 0.93 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9562217 0.89 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL11779100 0.88 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL10830339 0.88 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL10629980 0.88 CYP1A2 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL10893329 0.87 CACNA1C (0.69) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL11819347 0.87 CACNA1F (0.72) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7283013 0.86 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CGUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559004-A Methods for screening compounds to determine calcium leak channel inhibition activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-09-24 US disclosed
US-5559004-A Methods for screening compounds to determine calcium leak channel inhibition activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-09-24 US disclosed