SCHEMBL8295032

SCHEMBL8295032

CN(C(=O)[C@@H](N)C1CCC(OCc2ccc(C(=O)O)cc2)CC1)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.39
▸ F2 P00734 5/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8296830 0.90 TRPM8 (0.44) F2TRPM8ALDH1A1DPP4ABCC1
SCHEMBL8295030 0.88 EPHX1 (0.43) EPHX1ALOX5APFEN1RXRARXRB
SCHEMBL8295894 0.85 ALDH1A1 (0.38) EPHX1F2ALDH1A1DPP4DPP9
SCHEMBL8295913 0.79 ALDH1A1 (0.46) F2ALDH1A1NPSR1HSD11B1
SCHEMBL8295887 0.78 PARP15 (0.49) —
SCHEMBL8295504 0.78 F2 (0.41) EPHX1F2NPSR1HSD11B1
SCHEMBL1750107 0.77 KMT2A (0.47) ALDH1A1RXRARXRBRXRGNPC1
SCHEMBL927089 0.77 ALDH1A1 (0.49) ALDH1A1RXRARXRBRXRGNPC1
SCHEMBL8295463 0.76 CA2 (0.42) POLBSMN1; SMN2
SCHEMBL8296599 0.76 NPSR1 (0.44) F2ALDH1A1DPP4NPSR1POLB

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 — — WO disclosed
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