SCHEMBL8812425

SCHEMBL8812425

COc1ccc(C(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.53
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CTSS P25774 7/20 0.44
CTSL P07711 6/20 0.44
CTSK P43235 3/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CAPNS1 P04632 1/20 0.41

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
SCHEMBL8810413 0.90 TAS1R3 (0.49) CAPN1TAS1R3TAS1R1HPGDSMN1; SMN2
SCHEMBL8810037 0.90 CAPN1 (0.46) CAPN1HPGDALDH1A1CAPNS1
SCHEMBL8408032 0.88 CAPN1 (0.51) CAPN1CTSSCTSKHPGDSMN1; SMN2
SCHEMBL8810535 0.87 CAPN1 (0.52) CAPN1CTSLHPGDALDH1A1CAPNS1
SCHEMBL8404255 0.87 HTT (0.46) CAPN1TAS1R3TAS1R1ALDH1A1CAPNS1
SCHEMBL8809572 0.87 CAPN1 (0.50) CAPN1CTSSCTSLCTSKCAPNS1
SCHEMBL8807780 0.86 TAS1R3 (0.46) CAPN1TAS1R3TAS1R1CTSSCTSL
SCHEMBL8809378 0.85 HDAC4 (0.42) CAPN1CAPNS1
SCHEMBL8809717 0.85 TP53 (0.50) CAPN1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL8809745 0.84 CAPN1 (0.50) CAPN1CTSSCTSLCTSKSMN1; SMN2

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