SCHEMBL8216038

SCHEMBL8216038

COCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MME P08473 4/20 0.38
NPPA P01160 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL225196 0.88 CA12 (0.44) KCNN4HPGDNPSR1KDM4EALDH1A1
SCHEMBL7168982 0.83 MME (0.45) KCNN4NPSR1LMNAKIF11POLB
SCHEMBL29908038 0.81 NPSR1 (0.43) KCNN4NPSR1ALDH1A1SMN1; SMN2KIF11
SCHEMBL3607588 0.80 MME (0.47) KCNN4NPSR1ALDH1A1SMN1; SMN2KIF11
SCHEMBL4627986 0.80 NAALAD2 (0.51) NPSR1ALDH1A1
SCHEMBL4627982 0.80 NAALAD2 (0.51) NPSR1ALDH1A1
SCHEMBL29478394 0.80 NPSR1 (0.42) KCNN4NPSR1KIF11MME
SCHEMBL28500174 0.80 NPSR1 (0.42) KCNN4NPSR1KIF11MME
SCHEMBL13726857 0.80 NAALAD2 (0.51) NPSR1ALDH1A1
SCHEMBL2742288 0.79 KCNN4 (0.46) KCNN4NPSR1ALDH1A1LMNAKIF11

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-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed