SCHEMBL28758792

SCHEMBL28758792

CP(C)(=O)OCC(=O)c1cccc(Oc2cccc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MAOB P27338 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
NR4A2 P43354 1/20 0.41
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 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
SCHEMBL4943375 0.79 NPC1 (0.49) GCKNPC1RAB9AERCC5FEN1
SCHEMBL4943383 0.79 GCK (0.44) GCKNPC1RAB9AERCC5FEN1
SCHEMBL9254905 0.77 NPC1 (0.46) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL30147517 0.75 NPC1 (0.60) GCKNPC1RAB9AMRGPRX4AKR1C3
SCHEMBL27639502 0.75 RXFP1 (0.51) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL28043985 0.74 AKR1C3 (0.73) GCKNPC1RAB9AMRGPRX4PPARG
SCHEMBL30147687 0.74 AKR1C3 (0.73) GCKNPC1RAB9AMRGPRX4PPARG
SCHEMBL27776094 0.74 NPC1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2POLB
SCHEMBL27660193 0.73 L3MBTL1 (0.55) L3MBTL1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL27660190 0.73 KAT6A (0.43) NPC1RAB9AMRGPRX4ALDH1A1HPGD

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-1735597-A 2-piperidone derivatives as prostaglandin agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed