SCHEMBL7272445

SCHEMBL7272445

CC1=C(C(=O)O)C(c2c(F)c(F)cc(F)c2F)C(C(=O)O)=C(C)N1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
CACNA1B Q00975 11/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6946930 0.73 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CACNA1B
SCHEMBL7434314 0.73 MTOR (0.53) MTORRAB9AABCC9ABCC8KCNJ11
SCHEMBL6950055 0.73 POLB (0.49) MTORCACNA1BGAAKDM4EALDH1A1
SCHEMBL6953639 0.72 GAA (0.45) MTORABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8700129 0.71 GAA (0.54) MTORCACNA1BGAAKDM4EALDH1A1
SCHEMBL8949674 0.70 CACNA1F (0.53) RAB9AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7266318 0.69 CACNA1B (0.36) MTORRAB9AABCC9ABCC8KCNJ11
SCHEMBL8699921 0.69 CACNA1B (0.65) CACNA1B
SCHEMBL7157076 0.67 NR1I2 (0.50) MTORRAB9ACACNA1BGAAKDM4E
SCHEMBL7410687 0.67 CACNA1B (0.61) CACNA1BGAAALDH1A1MAPT

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
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP claimed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed