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Sugi Predict / Compounds / SCHEMBL19015950

SCHEMBL19015950

SCHEMBL19015950

C=CCOC(=O)C(NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.50
▸ BACE1 P56817 1/20 0.44
▸ MAPT P10636 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PIN1 Q13526 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
SCHEMBL7882598 1.00 CASP3 (0.50) CASP3BACE1MAPTEPHX2KMT2A
SCHEMBL29609769 0.89 CASP3 (0.55) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL7888461 0.83 CASP3 (0.46) CASP3EPHX2KMT2APIN1
SCHEMBL29504606 0.82 CASP3 (0.49) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL15005855 0.81 CASP3 (0.48) CASP3BACE1EPHX2KMT2AMDM4
SCHEMBL29787101 0.81 CASP3 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL5057040 0.81 CASP3 (0.55) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL8256929 0.81 CASP3 (0.55) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL8258239 0.81 CASP3 (0.55) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL7884670 0.80 CTSK (0.55) BACE1MAPT

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-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed