SCHEMBL7267336

SCHEMBL7267336

CC1=C(C(=O)O)C(c2ccccc2Cl)C([S+]([O-])C(C)C)=C(C)N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 3/20 0.39
PYGL P06737 13/20 0.39
PYGM P11217 13/20 0.39
CACNA1B Q00975 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7266137 0.91 CYP2C9 (0.47) ALOX15ALDH1A1PYGLPYGMCACNA1B
SCHEMBL7266638 0.86 ALDH1A1 (0.41) ALOX15ALDH1A1PYGLPYGMCACNA1B
SCHEMBL7275522 0.83 TSHR (0.41) ALOX15ALDH1A1PYGLPYGMTSHR
SCHEMBL7275922 0.83 CACNA1C (0.55) ALDH1A1CACNA1BTSHRPOLBHPGD
SCHEMBL3034308 0.82 ALDH1A1 (0.49) ALOX15ALDH1A1PYGLPYGMTSHR
SCHEMBL7272104 0.80 CACNA1B (0.53) CACNA1B
SCHEMBL7267115 0.78 CACNA1B (0.37) ALDH1A1CACNA1BTSHRHPGDHSD17B10
SCHEMBL7265623 0.77 CYP2C9 (0.49) ALDH1A1CACNA1BTSHRHPGDHSD17B10
SCHEMBL7267980 0.76 PYGL (0.61) ALOX15PYGLPYGMMAPTKDM4E
SCHEMBL7266662 0.76 ALDH1A1 (0.43) ALOX15ALDH1A1PYGLPYGMTSHR

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