SCHEMBL28290282

SCHEMBL28290282

O=COCCc1cc(=O)c2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.60
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
SIGMAR1 Q99720 2/20 0.46
NPC1 O15118 5/20 0.43
HPGD P15428 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ABCB1 P08183 2/20 0.43
TNKS O95271 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAOB P27338 2/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G4A P47712 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL28790189 0.82 APP (0.43) PPARGSTS
SCHEMBL27610326 0.82 LOXL2 (0.42) PPARGCYP11B1CYP11B2HPGDCA12
SCHEMBL28907602 0.80 LOXL2 (0.50) HPGDSMN1; SMN2CYP19A1
SCHEMBL28754013 0.78 LOXL2 (0.59) PPARGHPGDSMN1; SMN2CYP3A4KDM4E
SCHEMBL28786246 0.78 ALOX15 (0.49) PPARGNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL292258 0.76 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL30694898 0.76 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL3715533 0.76 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL19925815 0.76 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
Flidersiachromone SCHEMBL5826185 0.75 PPARG (1.00) PPARGCYP11B1CYP11B2SIGMAR1NPC1

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
CN-109641864-A ANTI-INFECTIVE AGENTS 邓迪大学 2019-04-16 CN disclosed