SCHEMBL8810037

SCHEMBL8810037

COc1cc(OC)cc(C(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.46
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.41
CAPNS1 P04632 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8812425 0.90 CAPN1 (0.53) CAPN1HPGDCAPNS1ALDH1A1
SCHEMBL8809717 0.83 TP53 (0.50) CAPN1KMT2AMEN1
SCHEMBL8809572 0.83 CAPN1 (0.50) CAPN1CAPNS1
SCHEMBL8810048 0.82 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8810028 0.82 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8408032 0.82 CAPN1 (0.51) CAPN1HPGDCAPNS1
SCHEMBL8810413 0.82 TAS1R3 (0.49) CAPN1KMT2AHPGDMEN1
SCHEMBL8812456 0.82 CASP1 (0.52) CAPN1CAPNS1
SCHEMBL8810404 0.81 CAPN1 (0.46) CAPN1CAPNS1POLB
SCHEMBL8810535 0.81 CAPN1 (0.52) CAPN1HPGDCAPNS1ALDH1A1

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