SCHEMBL8812573

SCHEMBL8812573

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.60
CTSS P25774 4/20 0.60
CTSB P07858 3/20 0.60
CTSL P07711 5/20 0.59
TACR1 P25103 2/20 0.55
CAPN1 P07384 1/20 0.53

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
SCHEMBL8812581 1.00 CTSK (0.60) CTSKCTSSCTSBCTSLTACR1
SCHEMBL8808396 0.89 CTSK (0.54) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL3591988 0.89 CAPN1 (0.68) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL8404288 0.89 CAPN1 (0.68) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL8808408 0.89 CTSK (0.54) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL7518855 0.88 CAPN1 (0.52) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL8810223 0.87 CTSL (0.58) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL8810216 0.87 CTSL (0.58) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL7511780 0.87 BMP1 (0.51) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL7512475 0.87 CTSK (0.59) CTSKCTSSCTSBCTSLTACR1

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-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed