SCHEMBL8949674

SCHEMBL8949674

CC1=C(C(=O)O)C(c2ccc(F)cc2)C(C(=O)O)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
CACNA1B Q00975 3/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
ABCC1 P33527 1/20 0.45
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9272854 0.89 CACNA1F (0.69) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL10466269 0.86 CACNA1B (0.44) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL27541931 0.85 CACNA1B (0.49) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL30932230 0.84 ALDH1A1 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7410687 0.83 CACNA1B (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL4789805 0.82 LMNA (0.48) CACNA1BALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9312804 0.82 ABCC1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL6946930 0.81 ABCC9 (0.50) CACNA1BABCC1ABCC9ABCC8KCNJ11
SCHEMBL7879285 0.81 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL16178465 0.81 TSHR (0.44) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516774-A Preparation method of chiral bromo-1, 4-dihydropyridine compound 中国科学院成都生物研究所 2022-05-20 CN disclosed
US-5502057-A Polysubstituted pyridines useful for treating lipoproteinanaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5470982-A Disubstituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
US-4968689-A Certain 2,6-diisopropyl-4-(4-fluoro-phenyl)-3,5-bis-dimethyl-3',5'-dihydroxy-hept-6-enoate-pyridine derivatives useful for treating lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed