SCHEMBL20819127

SCHEMBL20819127

CC(C)COC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.56
▸ CTSS P25774 3/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CTSB P07858 1/20 0.53
▸ FOLH1 Q04609 3/20 0.53
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ MME P08473 1/20 0.49
▸ ECE1 P42892 1/20 0.49

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
SCHEMBL17114105 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL45470 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL2921260 0.90 FOLH1 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL677997 0.90 FOLH1 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7624700 0.90 FOLH1 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL3624634 0.87 FOLH1 (0.55) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7286347 0.87 FOLH1 (0.55) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL45786 0.87 CASP1 (0.59) CTSKCTSSCTSLCTSBCASP1
SCHEMBL3624630 0.87 FOLH1 (0.55) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL221391 0.87 KYNU (0.60) CTSKCTSSCTSLCTSBFOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 — — EP disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 — — WO disclosed
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