SCHEMBL21706910

SCHEMBL21706910

COc1cc(CCCC(=O)OC(C(C)C)C(C)C)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
PTGS2 P35354 1/20 0.41
CNR1 P21554 11/20 0.40
CNR2 P34972 9/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP19A1 P11511 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL28985335 0.78 LMNA (0.47) AKR1B1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL21706782 0.77 FAAH (0.54) ALOX5KMT2ALMNATDP1HDAC1
SCHEMBL229166 0.77 SMN1; SMN2 (0.50) PTGS2CNR1CNR2ALOX5KMT2A
SCHEMBL15994904 0.76 KDM4E (0.50) AKR1B1PTGS2CNR1CNR2ALOX5
SCHEMBL227344 0.76 FFAR4 (0.50) AKR1B1PTGS2CNR1CNR2ALOX5
SCHEMBL14672756 0.76 MTNR1A (0.49) AKR1B1PTGS2CNR1CNR2ALOX5
SCHEMBL21706914 0.75 HDAC1 (0.54) HDAC1HDAC6
SCHEMBL1052227 0.73 PTGS2 (0.50) PTGS2CNR1CNR2ALOX5HDAC1
SCHEMBL31329290 0.73 ALOX5 (0.59) ALOX5ALDH1A1KMT2AL3MBTL1LMNA
Cyclopropane SCHEMBL11843578 0.72 CNR1 (0.52) PTGS2CNR1CNR2KMT2ALMNA

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