SCHEMBL7267403

SCHEMBL7267403

CC[S+]([O-])C1=C(C)NC(C)=C(C(=O)O)C1c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCC1 P33527 1/20 0.39
CACNA1B Q00975 5/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA1D Q01668 1/20 0.36
TP53 P04637 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
SCHEMBL7275870 0.85 CACNA1B (0.38) ALDH1A1KDM4ETSHRSMN1; SMN2ABCC1
SCHEMBL7267115 0.82 CACNA1B (0.37) ALDH1A1KDM4ETSHRSMN1; SMN2ABCC1
SCHEMBL7267442 0.81 CACNA1B (0.53) CACNA1B
SCHEMBL27541931 0.80 CACNA1B (0.49) ALDH1A1KDM4ETSHRSMN1; SMN2ABCC1
SCHEMBL7267660 0.78 CACNA1F (0.48) CACNA1BADORA3CACNA1D
SCHEMBL7272327 0.78 CACNA1F (0.60) TSHRCACNA1BLMNAADORA3MEN1
SCHEMBL7266744 0.78 CACNA1F (0.48) SMN1; SMN2CACNA1BLMNAADORA3CACNA1D
SCHEMBL7275522 0.78 TSHR (0.41) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL7275738 0.76 TSHR (0.52) ALDH1A1KDM4ETSHRCACNA1BHPGD
SCHEMBL7272429 0.76 CACNA1B (0.41) CACNA1BADORA3CACNA1D

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