SCHEMBL6158091

SCHEMBL6158091

CC(CC(=O)NCCc1ccccc1)C(=O)NC(CC(=O)CBr)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
ANPEP P15144 1/20 0.45
CPA1 P15085 1/20 0.44
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MMP8 P22894 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
ACE P12821 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
SCHEMBL6160794 0.88 KMT2A (0.51) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL6158841 0.79 KMT2A (0.61) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL27561838 0.74 KMT2A (0.41) KMT2AMEN1TSHRHPGDCPA1
SCHEMBL8670529 0.73 ALDH1A1 (0.58) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL6045130 0.73 KMT2A (0.79) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL14519817 0.72 POLB (0.54) KMT2AMEN1TSHRALDH1A1HPGD
Naphthalene SCHEMBL7417075 0.72 CASP3 (0.51) KMT2AALDH1A1HPGD
SCHEMBL6158716 0.72 CASP1 (0.60) KMT2AALDH1A1HPGDPOLBANPEP
SCHEMBL5907625 0.72 KMT2A (0.63) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL6425753 0.71 HDAC3 (0.60) KMT2AMEN1ALDH1A1HPGDTAAR1

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 7 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 disclosed
EP-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
CN-1308542-A Succinamide inhibitors of interleukin-1 beta converting enzyme WARNET LAMBERT CO (US) 2001-08-15 CN disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed