SCHEMBL9119260

SCHEMBL9119260

COC(=O)c1ccc(OCCCOc2ccc(C(O)CCCc3ccccc3)cc2)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
S1PR1 P21453 3/20 0.42
ADRB2 P07550 4/20 0.42
FAAH O00519 1/20 0.42
LNPEP Q9UIQ6 1/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 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
SCHEMBL9119567 0.85 S1PR1 (0.43) RAB9AMAPTS1PR1PPARG
SCHEMBL9119262 0.79 MEN1 (0.47) RAB9AMAPTS1PR1HDAC1MEN1
SCHEMBL551218 0.76 LMNA (0.56) RAB9AMAPTTDP1L3MBTL1HDAC1
SCHEMBL9122892 0.75 FFAR1 (0.55) TDP1S1PR1ADRB2ADRB1
SCHEMBL4522699 0.75 POLB (0.48) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL4364300 0.74 MAPT (0.74) RAB9AMAPTTDP1L3MBTL1S1PR1
SCHEMBL9121262 0.73 MLYCD (0.50) RAB9AFAAHHDAC1MEN1KMT2A
SCHEMBL4361268 0.73 MAPT (0.72) RAB9AMAPTTDP1L3MBTL1S1PR1
SCHEMBL9118461 0.73 FFAR1 (0.72) L3MBTL1S1PR1PPARG
SCHEMBL4359850 0.72 MAPT (0.70) RAB9AMAPTTDP1L3MBTL1S1PR1

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
US-5453443-A Antiallergens, antiinflammatory MERCK FROSST CANADA, INC. (CA) 1995-09-26 US disclosed