SCHEMBL376112

SCHEMBL376112

CC(C)(C)OC(=O)NCCN1CCN(C(=O)O)C(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.47
DRD2 P14416 9/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EPHX1 P07099 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 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
SCHEMBL18824271 0.91 CACNA1H (0.47) CACNA1HDRD2MEN1KMT2AGAA
SCHEMBL18824273 0.91 CACNA1H (0.47) CACNA1HDRD2MEN1KMT2AGAA
SCHEMBL376023 0.82 ALOX15 (0.32)
SCHEMBL13260930 0.81 DRD2 (0.48) DRD2SIGMAR1
SCHEMBL376066 0.79 DRD2 (0.42) CACNA1HDRD2ALDH1A1GFERJAK2
SCHEMBL31301242 0.78 DRD2 (0.63) CACNA1HDRD2MEN1KMT2AGAA
SCHEMBL18851102 0.77 DRD2 (0.49) DRD2SIGMAR1
SCHEMBL13202614 0.74 DRD2 (0.59) CACNA1HDRD2MEN1KMT2AGAA
SCHEMBL18233672 0.74 CACNA1H (0.49) CACNA1HDRD2MEN1KMT2AGAA
SCHEMBL22754469 0.74 CACNA1H (0.49) CACNA1HDRD2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed