SCHEMBL6161404

SCHEMBL6161404

CCNC(=O)CC(C(=O)O)C(C)C.c1cc2cc(c1)O2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
ECE1 P42892 1/20 0.33
POLB P06746 1/20 0.33
TNF P01375 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL6159342 0.80 CASP1 (0.60) CASP1
SCHEMBL2449106 0.72 KMT2A (0.60) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL2449111 0.72 KMT2A (0.60) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL14401163 0.69 ECE1 (0.44) CASP1SMN1; SMN2MMP2MMP9KMT2A
SCHEMBL16203198 0.68 ECE1 (0.44) CASP1ALDH1A1ECE1
SCHEMBL6158236 0.68 KMT2A (0.68) CASP1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL27561937 0.68 KMT2A (0.68) CASP1RAB9ASMN1; SMN2NPC1KMT2A
Propionic Acid SCHEMBL11833224 0.68 FFAR3 (0.46) RAB9ASMN1; SMN2KMT2APOLB
3-Hydroxybutyric Acid, (+/-)- SCHEMBL6353320 0.67 FFAR1 (0.37) SMN1; SMN2POLB
SCHEMBL6160049 0.67 CASP1 (0.66) CASP1KDM4ERAB9ASMN1; SMN2NPC1

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-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$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$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