SCHEMBL7265406

SCHEMBL7265406

CC1=C(C(=O)O)C(c2cccc(C(F)(F)F)c2)C([S+](C)[O-])=C(C)N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
GUSB P08236 1/20 0.45
FFAR3 O14843 1/20 0.40
NOTCH1 P46531 1/20 0.40
PIN1 Q13526 1/20 0.39
CACNA1B Q00975 9/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7267535 0.89 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7266744 0.88 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7267803 0.84 CACNA1B (0.41) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7267485 0.82 CACNA1B (0.53) CACNA1BHTT
SCHEMBL7275626 0.80 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7265490 0.80 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7273432 0.80 CACNA1C (0.48) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7265905 0.79 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7272338 0.79 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7273057 0.79 CACNA1F (0.50) 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-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed