SCHEMBL6440981

SCHEMBL6440981

CC(C)(C)OC(=O)N1CCCC1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PREP P48147 4/20 0.48
FKBP1A P62942 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
STS P08842 1/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7382767 0.97 FKBP1A (0.53) KLK7KMT2AMEN1PREPFKBP1A
SCHEMBL6172743 0.91 L3MBTL1 (0.51) KMT2APREPALDH1A1CTSLCTSK
SCHEMBL27978282 0.88 FKBP1A (0.52) KMT2APREPFKBP1ACTSLCTSB
SCHEMBL16030780 0.87 KLK7 (0.48) KLK7KMT2AMEN1PREPFKBP1A
SCHEMBL16032213 0.87 KLK7 (0.48) KLK7KMT2AMEN1PREPFKBP1A
SCHEMBL29867697 0.87 KMT2A (0.45) KLK7KMT2AFKBP1AALDH1A1GAA
SCHEMBL16030781 0.87 KLK7 (0.48) KLK7KMT2AMEN1PREPFKBP1A
SCHEMBL16031358 0.87 KLK7 (0.48) KLK7KMT2AMEN1PREPFKBP1A
SCHEMBL30804803 0.87 KLK7 (0.48) KLK7KMT2AMEN1PREPFKBP1A
SCHEMBL5241449 0.86 ALDH1A1 (0.51) KLK7KMT2AFKBP1AALDH1A1GAA

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-1546096-A1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES Basilea Pharmaceutica AG (CH) 2005-06-29 EP disclosed
WO-2004013097-A1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2004-02-12 WO disclosed