SCHEMBL13709170

SCHEMBL13709170

CCC(=O)[C@@](C)(N)Cc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KIF11 P52732 1/20 0.42
CYP2A6 P11509 1/20 0.42
BLM P54132 1/20 0.42
RAB9A P51151 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
PPARA Q07869 1/20 0.40
EPHX2 P34913 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
DPP4 P27487 1/20 0.39
KDM1A O60341 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MMP3 P08254 1/20 0.39
MMP2 P08253 2/20 0.38
PTGER4 P35408 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL17550663 0.85 KIF11 (0.45) TSHRHSD17B10KIF11CYP2A6BLM
SCHEMBL17066853 0.84 KIF11 (0.44) TSHRHSD17B10KIF11CYP2A6BLM
SCHEMBL539357 0.82 PPARA (0.45) TSHRHSD17B10KIF11BLMMMP12
SCHEMBL539358 0.82 PPARA (0.45) TSHRHSD17B10KIF11BLMMMP12
SCHEMBL8694396 0.80 BLM (0.65) HSD17B10CYP2A6BLMRAB9APPARA
SCHEMBL25058399 0.78 KIF11 (0.53) TSHRHSD17B10KIF11CYP2A6LOXL2
SCHEMBL5201387 0.77 SMN1; SMN2 (0.42) TSHRCYP2A6BLMRAB9AEPHX2
SCHEMBL5201384 0.77 SMN1; SMN2 (0.42) TSHRCYP2A6BLMRAB9AEPHX2
SCHEMBL5201595 0.77 SMN1; SMN2 (0.42) TSHRCYP2A6BLMRAB9AEPHX2
SCHEMBL12923161 0.75 SLC6A2 (0.53) HSD17B10BLMPOLBMAPT

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-2009111700-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2009-09-11 WO disclosed