SCHEMBL6157827

SCHEMBL6157827

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.43
CASP3 P42574 9/20 0.39
CASP7 P55210 6/20 0.39
CASP6 P55212 5/20 0.39
CASP8 Q14790 5/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL6157558 0.94 KMT2A (0.48) CASP1KMT2AHPGDALDH1A1TSHR
SCHEMBL6157985 0.88 CASP3 (0.41) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6160437 0.87 CASP1 (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6159833 0.84 CASP1 (0.54) CASP1KMT2AALDH1A1MEN1TSHR
SCHEMBL6161919 0.83 CASP1 (0.47) CASP1KMT2AHPGDMEN1
SCHEMBL6161964 0.81 CASP1 (0.54) CASP1KMT2AHPGDALDH1A1MEN1
SCHEMBL6157421 0.80 CASP1 (0.41) CASP1CASP3CASP7CASP8KMT2A
SCHEMBL6158900 0.80 CASP1 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6158761 0.80 CASP1 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL7487986 0.80 CASP1 (0.55) CASP1CASP3CASP7CASP6CASP8

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-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP claimed
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed