SCHEMBL9229489

SCHEMBL9229489

O=C(O)c1ccccc1-c1ccc2cc(CO)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.46
PDE7B Q9NP56 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LTB4R2 Q9NPC1 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FOLH1 Q04609 1/20 0.43
LPAR1 Q92633 2/20 0.43
BRS3 P32247 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL8929477 0.88 RAB9A (0.44) PDE7APDE7BRAB9ANPC1LTB4R2
SCHEMBL8322442 0.81 KDM4E (0.55) RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5106250 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8326990 0.77 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8807794 0.77 LTB4R2 (0.47) PDE7APDE7BLTB4R2BRS3
SCHEMBL9224796 0.75 AGTR1 (0.55)
SCHEMBL8807800 0.74 LTB4R2 (0.50) PDE7APDE7BLTB4R2
SCHEMBL8807157 0.74 LTB4R2 (0.39) PDE7APDE7BLTB4R2LPAR1BRS3
SCHEMBL5151244 0.74 LTB4R2 (0.60) LTB4R2FOLH1LPAR1BRS3
SCHEMBL8809185 0.74 ALDH1A1 (0.43) PDE7APDE7BLTB4R2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632027-A1 6-(Carbonyloxymethylene)-quinolines BASF Aktiengesellschaft (DE) 1995-01-04 EP disclosed