SCHEMBL11620172

SCHEMBL11620172

O=C1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.57
F2 P00734 1/20 0.57
PLG P00747 1/20 0.57
CTSG P08311 1/20 0.57
CMA1 P23946 1/20 0.57
CTRC Q99895 1/20 0.57
GSK3A P49840 4/20 0.55
GSK3B P49841 4/20 0.55
MGLL Q99685 1/20 0.53
POLB P06746 2/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
APAF1 O14727 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL40679 0.82 POLB (0.61) ELANEF2PLGCTSGCMA1
SCHEMBL290791 0.81 POLB (0.70) ELANEF2PLGCTSGCMA1
SCHEMBL7131427 0.81 ELANE (0.53) ELANEF2PLGCTSGCMA1
SCHEMBL5011821 0.78 GSK3A (0.53) ELANEF2PLGCTSGCMA1
SCHEMBL5963434 0.77 L3MBTL1 (0.49) ELANEF2PLGCTSGCMA1
Bicarbonate SCHEMBL25171118 0.76 POLB (0.64) ELANEF2PLGCTSGCMA1
SCHEMBL10559302 0.76 GSK3A (0.70) ELANEF2PLGCTSGCMA1
SCHEMBL18669202 0.76 POLB (0.54) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1553262 0.74 L3MBTL1 (0.54) ELANEF2PLGCTSGCMA1
SCHEMBL5448612 0.73 KMT2A (0.80) ELANEF2PLGCTSGCMA1

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-4130711-A DEHYDROGENATION OF A N-HYDROXYALKYL N-AMIDOALKYL AMINE, REDUCED COPPER CATALYST THE DOW CHEMICAL COMPANY (US) 1978-12-19 US disclosed
US-4082748-A CATALYTIC DEHYDROCYCLIZATION THE DOW CHEMICAL COMPANY (US) 1978-04-04 US disclosed