SCHEMBL6158236

SCHEMBL6158236

CC(C)[C@H](CC(=O)NCCCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
HPGD P15428 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CASP1 P29466 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
GAA P10253 1/20 0.59
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
EPHX2 P34913 4/20 0.53
SIRT5 Q9NXA8 1/20 0.53
POLB P06746 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL27561937 1.00 KMT2A (0.68) KMT2AHPGDALDH1A1CASP1L3MBTL1
SCHEMBL27541292 0.85 KMT2A (0.60) KMT2AHPGDALDH1A1CASP1L3MBTL1
SCHEMBL6157277 0.85 KMT2A (0.60) KMT2AHPGDALDH1A1CASP1L3MBTL1
SCHEMBL7493051 0.84 ALDH1A1 (0.58) KMT2AHPGDALDH1A1CASP1L3MBTL1
SCHEMBL2449106 0.82 KMT2A (0.60) KMT2AHPGDALDH1A1L3MBTL1CYP2C19
SCHEMBL2449111 0.82 KMT2A (0.60) KMT2AHPGDALDH1A1L3MBTL1CYP2C19
SCHEMBL6157629 0.80 CASP1 (1.00) KMT2AHPGDALDH1A1CASP1
SCHEMBL6157630 0.80 CASP1 (1.00) KMT2AHPGDALDH1A1CASP1
SCHEMBL6157640 0.80 CASP1 (1.00) KMT2AHPGDALDH1A1CASP1
SCHEMBL2122796 0.79 L3MBTL1 (0.64) KMT2AHPGDALDH1A1L3MBTL1CYP2D6

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