SCHEMBL4249608

SCHEMBL4249608

CC(C(N)=O)c1ccc(NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 3/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 3/20 0.61
THRB P10828 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GFER P55789 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAD51 Q06609 1/20 0.56
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FAAH O00519 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
PTGS2 P35354 1/20 0.49
CYP1A2 P05177 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
SCHEMBL6688394 0.88 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL13797610 0.85 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL8063648 0.81 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL4265033 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL21234442 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAALMNA
Phenyl Phenylcarbamate SCHEMBL27565311 0.80 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL23240239 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL14797757 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL27726253 0.78 NPC1 (0.58) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL2475788 0.78 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035008-A2 COMPOSITIONS AND METHODS FOR PREVENTING OR REDUCING POSTOPERATIVE ILEUS AND GASTRIC STASIS IN MAMMALS Ethicon, Incorporated (US) 2009-03-18 EP claimed
WO-2007146920-A2 COMPOSITIONS AND METHODS FOR PREVENTING OR REDUCING POSTOPERATIVE ILEUS AND GASTRIC STASIS IN MAMMALS ETHICON, INC. (US) 2007-12-21 WO claimed
US-20070286892-A1 COMPOSITIONS AND METHODS FOR PREVENTING OR REDUCING POSTOPERATIVE ILEUS AND GASTRIC STASIS IN MAMMALS ETHICON, INC. 2007-12-13 US claimed
EP-2035008-A2 COMPOSITIONS AND METHODS FOR PREVENTING OR REDUCING POSTOPERATIVE ILEUS AND GASTRIC STASIS IN MAMMALS Ethicon, Incorporated (US) 2009-03-18 EP disclosed
WO-2007146920-A2 COMPOSITIONS AND METHODS FOR PREVENTING OR REDUCING POSTOPERATIVE ILEUS AND GASTRIC STASIS IN MAMMALS ETHICON, INC. (US) 2007-12-21 WO disclosed
US-20070286892-A1 COMPOSITIONS AND METHODS FOR PREVENTING OR REDUCING POSTOPERATIVE ILEUS AND GASTRIC STASIS IN MAMMALS ETHICON, INC. 2007-12-13 US disclosed