SCHEMBL19463449

SCHEMBL19463449

O=C(O)C(CCCO)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.50
KDM4E B2RXH2 1/20 0.45
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 4/20 0.44
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL19463451 1.00 TBXAS1 (0.50) TBXAS1KDM4EGRM8GRM4SMN1; SMN2
SCHEMBL20213798 0.90 TBXAS1 (0.49) TBXAS1KDM4EGRM8GRM4SMN1; SMN2
SCHEMBL8461393 0.86 TBXAS1 (0.49) TBXAS1GRM8GRM4SMN1; SMN2EPHX2
SCHEMBL30479399 0.84 TBXAS1 (0.53) TBXAS1GRM8GRM4SMN1; SMN2EPHX2
SCHEMBL28368180 0.84 TBXAS1 (0.53) TBXAS1GRM8GRM4SMN1; SMN2PPARG
SCHEMBL25287082 0.83 SMN1; SMN2 (0.50) TBXAS1KDM4EGRM8GRM4SMN1; SMN2
SCHEMBL31038319 0.83 SMN1; SMN2 (0.50) TBXAS1KDM4EGRM8GRM4SMN1; SMN2
SCHEMBL744044 0.83 TBXAS1 (0.48) TBXAS1KDM4EGRM8GRM4SMN1; SMN2
SCHEMBL9768498 0.81 TBXAS1 (0.54) TBXAS1EPHX2PPARGPPARA
SCHEMBL8500771 0.81 GAA (0.44) TBXAS1KDM4ESMN1; SMN2LMNAL3MBTL1

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-3442583-A2 COMPOSITIONS AND METHODS FOR TREATING PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS Solis Herrera, Arturo (MX) 2019-02-20 EP disclosed
WO-2017178897-A2 COMPOSITIONS AND METHODS FOR TREATING PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS SOLIS HERRERA ARTURO (MX) 2017-10-19 WO disclosed