SCHEMBL11599332

SCHEMBL11599332

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](CCC(=O)O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKT1 P31749 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EPOR P19235 1/20 0.39
CTSS P25774 3/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CPA3 P15088 1/20 0.37
HTT P42858 1/20 0.36
CTSK P43235 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
Hydrochloric Acid SCHEMBL11597784 0.99 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3092249 0.90 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL27880889 0.90 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL10423905 0.86 AKT1 (0.41) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL11647964 0.82 AKT1 (0.42) LMNAAKT1MEN1KMT2ACTSS
SCHEMBL11173700 0.82 PSEN1 (0.44) AKT1KMT2A
SCHEMBL11599291 0.81 ACE (0.50) AKT1KMT2ACTSSCTSLCTSB
SCHEMBL11598826 0.80 PPARA (0.43) CTSSCTSLCTSBCTSK
SCHEMBL11597955 0.80 BACE1 (0.46) CTSSCTSLCTSBCTSK
SCHEMBL5967875 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed