SCHEMBL1709437

SCHEMBL1709437

CCOC(=O)C[C@@H]1CC[C@@H](N(CC2CCCCC2)CC2CCCCC2)[C@H](c2ccc(C(=O)O)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LPAR1 Q92633 4/20 0.34
LPAR5 Q9H1C0 4/20 0.34
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 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
SCHEMBL10032838 0.89 TP53 (0.40) TAS2R14TDP1KMT2APOLBTP53
SCHEMBL1709421 0.84 L3MBTL1 (0.38) TDP1KMT2ATP53
SCHEMBL10032840 0.82 L3MBTL1 (0.37) TDP1KMT2A
SCHEMBL10033108 0.82 L3MBTL1 (0.37) TDP1KMT2A
SCHEMBL10033105 0.82 TDP1 (0.36) TDP1POLB
SCHEMBL10033115 0.82 MDM2 (0.43) TP53
SCHEMBL10033176 0.79 L3MBTL1 (0.41) TAS2R14TDP1KMT2APOLBTP53
SCHEMBL10032973 0.77 SIGMAR1 (0.38) TDP1KMT2APOLBTP53
SCHEMBL1709371 0.77 MEN1 (0.43) NPSR1KMT2ATP53
SCHEMBL10032827 0.76 GPR88 (0.42) TP53

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed