SCHEMBL9800442

SCHEMBL9800442

CC(C)CC(OC(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
HPGD P15428 1/20 0.50
ACE P12821 1/20 0.50
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL7304728 1.00 FAAH (0.50) FAAHHPGDACELMNAPKM
SCHEMBL9800485 0.82 FAAH (0.51) FAAHMGLLTDP1
SCHEMBL11800230 0.82 TSHR (0.64) FAAHHPGDLMNAPKMSMN1; SMN2
SCHEMBL7302270 0.79 PPARG (0.48) HPGDLMNAPKMSMN1; SMN2PPARG
SCHEMBL21706782 0.79 FAAH (0.54) FAAHHPGDLMNAPKMSMN1; SMN2
Acetic Acid SCHEMBL28974131 0.79 TSHR (0.60) FAAHHPGDLMNAPKMSMN1; SMN2
SCHEMBL27741870 0.79 FAAH (0.54) FAAHHPGDLMNAPKMSMN1; SMN2
SCHEMBL29743339 0.78 FAAH (0.51) FAAHHPGDLMNAPKMSMN1; SMN2
SCHEMBL8444601 0.78 ADRB2 (0.44) FAAHHPGDACELMNAPKM
SCHEMBL23260954 0.77 TSHR (0.62) FAAHLMNASMN1; SMN2HDAC3MAPK1

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-0224272-B1 PYRROLIDINYLAMIDE ESTER DERIVATIVE HAVING ANTI-PROLYL ENDOPEPTIDASE ACTIVITY, ITS SYNTHESIS AND USE AND A PHARMACEUTICAL COMPOSITION CONTAINING IT SUNTORY LIMITED (JP) 1991-02-06 EP disclosed
US-4757083-A Enzyme inhibitors SUNTORY LIMITED (JP) 1988-07-12 US disclosed
EP-0224272-A1 Pyrrolidinylamide ester derivative having anti-prolyl endopeptidase activity, its synthesis and use and a pharmaceutical composition containing it SUNTORY LIMITED (JP) 1987-06-03 EP disclosed