SCHEMBL5183142

SCHEMBL5183142

CC(C)(C)CCN[CH]Cc1ccc(OC(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
KIF11 P52732 1/20 0.36
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADAMTS4 O75173 1/20 0.31
RAB9A P51151 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL630335 0.78 HPGD (0.38) ELANEKIF11THRBKMT2AMEN1
SCHEMBL6629998 0.73 MLYCD (0.58) KMT2AALDH1A1RAB9AMLYCD
SCHEMBL9542970 0.70 ELANE (0.57) ELANEKIF11KMT2AMEN1
SCHEMBL9566622 0.70 ALDH1A1 (0.53) KIF11THRBKMT2AMEN1ALDH1A1
SCHEMBL630443 0.69 ELANE (0.37) ELANEKIF11THRBKMT2AMEN1
SCHEMBL1835776 0.67 RAB9A (0.53) ELANEKIF11THRBKMT2AMEN1
SCHEMBL4682259 0.66 ELANE (0.53) ELANEKIF11KMT2AMEN1ALDH1A1
SCHEMBL6284986 0.66 KMT2A (0.64) ELANEKIF11KMT2AMEN1ALDH1A1
SCHEMBL13650268 0.65 MEN1 (0.48) ELANEKIF11THRBKMT2AMEN1
SCHEMBL28096013 0.65 F2 (0.54) ELANEKIF11KMT2AMEN1

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-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed