SCHEMBL13893299

SCHEMBL13893299

C=CC(=O)OCCCCN1C(=O)C=CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 1/20 0.56
MGLL Q99685 7/20 0.52
FAAH O00519 4/20 0.52
TP53 P04637 3/20 0.50
HPGD P15428 2/20 0.50
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR35 Q9HC97 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
SCHEMBL15483460 0.95 TSHR (0.53) TSHRALDH1A1CYP3A4MGLLFAAH
SCHEMBL10030571 0.88 MGLL (0.50) TSHRALDH1A1CYP3A4MGLLFAAH
SCHEMBL29100305 0.85 MGLL (0.57) TSHRALDH1A1CYP3A4MGLLFAAH
SCHEMBL29100298 0.85 MGLL (0.57) TSHRALDH1A1CYP3A4MGLLFAAH
SCHEMBL7098484 0.82 PTGS1 (0.48) TSHRALDH1A1CYP3A4MGLLFAAH
SCHEMBL5361313 0.81 MGLL (0.61) ALDH1A1MGLLFAAHTP53HPGD
SCHEMBL17158245 0.81 TSHR (0.56) TSHRALDH1A1CYP3A4MGLLFAAH
SCHEMBL29100308 0.80 HCAR2 (0.54) ALDH1A1MGLLFAAHTP53HPGD
SCHEMBL29100299 0.80 HCAR2 (0.54) ALDH1A1MGLLFAAHTP53HPGD
SCHEMBL24205363 0.80 TSHR (0.51) TSHRALDH1A1CYP3A4MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291859-A1 PRESSURE-SENSITIVE ADHESIVE TAPE FOR ELECTROCHEMICAL DEVICE NITTO DENKO CORPORATION (JP) 2015-10-15 US disclosed
CN-104755575-A Adhesive tape for electrochemical devices NITTO DENKO CORP 2015-07-01 CN disclosed
CN-104031570-A Heat-peelable adhesive sheet NITTO DENKO CORP 2014-09-10 CN disclosed
EP-2042311-A1 Lithographic printing plate precursor, method of preparing lithographic printing plate and lithographic printing method FUJIFILM Corporation (JP) 2009-04-01 EP disclosed