SCHEMBL4457923

SCHEMBL4457923

CCC(=O)N(Cc1ccc(-c2ccccc2)cc1)C(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LTB4R2 Q9NPC1 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSMB5 P28074 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ABCC4 O15439 1/20 0.42

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
SCHEMBL13434089 0.79 KMT2A (0.77) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL19349131 0.79 MEN1 (0.61) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL8483211 0.77 LTB4R2 (0.53) AGTR1LTB4R2
SCHEMBL3463258 0.77 ALDH1A1 (0.60) AGTR1MEN1KMT2AL3MBTL1LMNA
SCHEMBL10911381 0.76 L3MBTL1 (0.76) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL10911385 0.76 L3MBTL1 (0.76) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL11164223 0.76 KMT2A (0.57) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL3463311 0.75 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL3462963 0.75 LMNA (0.57) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL1883194 0.74 MEN1 (0.56) MEN1KMT2AL3MBTL1LMNAALDH1A1

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-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed