SCHEMBL20028432

SCHEMBL20028432

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.37
▸ THRB P10828 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ ECE1 P42892 2/20 0.34
▸ MME P08473 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ CCR1 P32246 7/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21854369 0.86 CAPN1 (0.47) ROCK2CAPN1
SCHEMBL22886609 0.80 PYGL (0.45) PYGLCCR1
SCHEMBL22886782 0.79 PYGL (0.38) PYGLROCK2CAPN1CCR1CHEK1
SCHEMBL22886421 0.77 PYGL (0.38) PYGLTHRBRAB9ACCR1ALDH1A1
SCHEMBL22886430 0.77 PYGL (0.41) PYGLTHRBRAB9ACCR1
SCHEMBL20028423 0.76 CDC7 (0.42) PYGLROCK2CCR1
SCHEMBL22886595 0.76 PYGL (0.39) PYGLRAB9APOLB
SCHEMBL20028429 0.75 PYGL (0.42) PYGLMMECAPN1CCR1
SCHEMBL20028427 0.74 PYGL (0.41) PYGLCCR1
SCHEMBL20028424 0.73 PYGL (0.40) PYGLCAPN1CCR1

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
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
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