SCHEMBL9235802

SCHEMBL9235802

CC(C(=O)OCC(=O)N1CCNCC1c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 2/20 0.42
CPT1A P50416 4/20 0.36
PRKCB P05771 1/20 0.34
CPT1B Q92523 1/20 0.34
PARP1 P09874 1/20 0.34
USP19 O94966 1/20 0.34
CPT2 P23786 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 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
SCHEMBL18284789 0.75 MEN1 (0.52) DPP4DPP7USP19
SCHEMBL20528485 0.73 DPP4 (0.46) DPP4DPP7USP19
SCHEMBL2935422 0.73 DPP4 (0.46) DPP4DPP7USP19
SCHEMBL21801033 0.73 DPP4 (0.46) DPP4DPP7USP19
SCHEMBL3464583 0.72 DPP4 (0.50) DPP4DPP7PARP1USP19
Hydrochloric Acid SCHEMBL9258072 0.72 DPP4 (0.46) DPP4DPP7USP19
SCHEMBL6984335 0.71 DPP4 (0.47) DPP4DPP7
SCHEMBL9235386 0.71 RAB9A (0.62) MAPT
SCHEMBL9233581 0.71 RAB9A (0.62) MAPT
SCHEMBL2706679 0.71 HTR2C (0.52) PARP1

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-0673924-A1 PROPIONIC ACID DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1995-09-27 EP disclosed