SCHEMBL21706782

SCHEMBL21706782

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HPGD P15428 1/20 0.51
MGLL Q99685 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 1/20 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
SCHEMBL11800230 0.87 TSHR (0.64) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL27741870 0.84 FAAH (0.54) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
Acetic Acid SCHEMBL28974131 0.84 TSHR (0.60) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL23260954 0.82 TSHR (0.62) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL31384037 0.81 FAAH (0.52) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL31657295 0.80 ADRB2 (0.57) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL29743339 0.80 FAAH (0.51) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL12412855 0.80 TSHR (0.73) FAAHSMN1; SMN2MAPK1KMT2AADRB2
SCHEMBL7778553 0.79 FAAH (0.50) FAAHSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL9139288 0.79 FAAH (0.50) FAAHSMN1; SMN2HDAC3HDAC4HDAC1

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
WO-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 WO disclosed