SCHEMBL4249612

SCHEMBL4249612

NC(=O)CCc1ccc(NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
RAB9A P51151 1/20 0.57
RAD51 Q06609 2/20 0.56
FFAR1 O14842 1/20 0.55
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 3/20 0.54
THRB P10828 2/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 3/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
FAAH O00519 6/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL5657473 0.83 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ARAD51FFAR1
SCHEMBL16192982 0.82 ALDH1A1 (0.64) ALDH1A1MAPTRAB9ARAD51ADRB1
SCHEMBL983506 0.82 ALDH1A1 (0.68) ALDH1A1MAPTRAB9ARAD51ADRB1
SCHEMBL15948094 0.81 RAB9A (0.59) ALDH1A1MAPTRAB9ARAD51ADRB1
SCHEMBL8063648 0.81 ALDH1A1 (0.82) ALDH1A1MAPTRAB9ARAD51KMT2A
SCHEMBL4733152 0.80 ALDH1A1 (0.66) ALDH1A1MAPTRAB9ARAD51ADRB1
SCHEMBL10112975 0.80 FAAH (0.67) ALDH1A1MAPTRAB9ARAD51ADRB1
SCHEMBL28561557 0.80 MAPT (0.57) ALDH1A1MAPTRAB9ARAD51KMT2A
Phenyl Phenylcarbamate SCHEMBL27565311 0.80 ALDH1A1 (0.69) ALDH1A1MAPTRAB9ARAD51KMT2A
SCHEMBL6630165 0.79 RAB9A (0.68) ALDH1A1MAPTRAB9ARAD51ADRB1

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