SCHEMBL8440945

SCHEMBL8440945

CC(CCC(=O)O)COC(=O)CCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
MAPK1 P28482 1/20 0.54
ADRA1A P35348 1/20 0.54
HDAC4 P56524 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
FAAH O00519 5/20 0.49
LPAR1 Q92633 3/20 0.49

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
SCHEMBL19024844 0.89 ADRB2 (0.55) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL19024934 0.86 ADRB2 (0.57) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL28226601 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL31657295 0.80 ADRB2 (0.57) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL19024897 0.80 TDP1 (0.58) ADRB2ADRB1ADRB3SMN1; SMN2FAAH
SCHEMBL27770588 0.80 ADRB2 (0.57) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL23545819 0.80 LPAR1 (0.60) ADRB2ADRB1ADRB3FAAHLPAR1
SCHEMBL9463643 0.79 LPAR1 (0.71) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL1889682 0.79 SMN1; SMN2 (0.53) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL29875826 0.78 TDP1 (0.60) ADRB2ADRB1ADRB3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869786-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 1999-04-14 EP disclosed
EP-0869786-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
WO-1997023211-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-07-03 WO disclosed