SCHEMBL5035603

SCHEMBL5035603

CC(C)(C)OC(=O)N[C@]1(C(=O)O)C=CCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GAA P10253 2/20 0.31
BTK Q06187 1/20 0.31
CTSL P07711 1/20 0.31
AKT1 P31749 2/20 0.31
ATR Q13535 1/20 0.30
LPAR1 Q92633 1/20 0.30

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
SCHEMBL30800371 0.86 MEN1 (0.33) MEN1KMT2AMAPK1APLNRNFKB1
SCHEMBL4422640 0.85
SCHEMBL6841561 0.76 FFAR3 (0.33)
SCHEMBL6841563 0.76 FFAR3 (0.33)
SCHEMBL19204868 0.74 GHSR (0.33) MEN1KMT2AMAPK1APLNRNFKB1
SCHEMBL7528758 0.74 ALDH1A1 (0.39) MEN1KMT2AMAPK1NFKB1NFKB2
SCHEMBL6507991 0.73 APLNR (0.34) MEN1KMT2AMAPK1APLNRNFKB1
SCHEMBL27969652 0.71 GHSR (0.35) MEN1KMT2AMAPK1APLNRNFKB1
SCHEMBL142219 0.71 MEN1 (0.39) MEN1KMT2AMAPK1APLNRNFKB1
SCHEMBL1157610 0.70 KMT2A (0.36) MEN1KMT2AMAPK1APLNRNFKB1

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-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed