SCHEMBL6601694

SCHEMBL6601694

CC(C)C[C@@H](C=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.49
▸ PSMB5 P28074 2/20 0.47
▸ PSMB1 P20618 1/20 0.47
▸ PSMB2 P49721 1/20 0.47
▸ CAPN1 P07384 2/20 0.45
▸ CTSB P07858 1/20 0.45
▸ ADH1B P00325 1/20 0.44
▸ ADH1C P00326 1/20 0.44
▸ ADH1A P07327 1/20 0.44
▸ ADH7 P40394 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ADAM17 P78536 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL29255909 0.82 SIGMAR1 (0.47) SIGMAR1CTSBADH1BADH1CADH1A
SCHEMBL24288430 0.80 SIGMAR1 (0.53) SIGMAR1CAPN1CTSBADH1BADH1C
SCHEMBL5028604 0.80 SIGMAR1 (0.53) SIGMAR1CAPN1CTSBADH1BADH1C
SCHEMBL8245648 0.79 ADH1B (0.47) SIGMAR1CAPN1ADH1BADH1CADH1A
SCHEMBL16372685 0.79 ADH1B (0.47) SIGMAR1CAPN1ADH1BADH1CADH1A
SCHEMBL10134832 0.78 SIGMAR1 (0.55) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL7922002 0.78 SIGMAR1 (0.55) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL10695877 0.78 SIGMAR1 (0.55) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL21538597 0.76 ADH1B (0.44) SIGMAR1CAPN1CTSBADH1BADH1C
SCHEMBL11096307 0.76 CASP1 (0.47) CAPN1ADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 — — EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 — — US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 — — EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 — — WO disclosed
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