SCHEMBL7267115

SCHEMBL7267115

CC1=C(C(=O)O)C(c2ccc(C)cc2)C([S+]([O-])C(C)C)=C(C)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.37
CACNA1F O60840 3/20 0.35
CACNA1D Q01668 3/20 0.35
CACNA1S Q13698 3/20 0.35
CACNA1C Q13936 3/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
ABCC1 P33527 1/20 0.34
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PDE1C Q14123 2/20 0.33
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
CYP2C9 P11712 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
SCHEMBL7275870 0.85 CACNA1B (0.38) CACNA1BCACNA1DKDM4EALDH1A1SMN1; SMN2
SCHEMBL7272104 0.82 CACNA1B (0.53) CACNA1B
SCHEMBL7267403 0.82 ALDH1A1 (0.40) CACNA1BCACNA1DKDM4EALDH1A1SMN1; SMN2
SCHEMBL27541931 0.80 CACNA1B (0.49) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7267535 0.79 CACNA1F (0.52) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7265666 0.79 CACNA1F (0.52) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272545 0.79 CACNA1F (0.55) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7267336 0.78 ALOX15 (0.40) CACNA1BKDM4EALDH1A1TSHRHSD17B10
SCHEMBL7272282 0.77 CACNA1F (0.42) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7266137 0.76 CYP2C9 (0.47) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C

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