SCHEMBL13636573

SCHEMBL13636573

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1c(N)cccc1O2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.45
KLK7 P49862 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACACB O00763 8/20 0.44
IDO1 P14902 1/20 0.44
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL471550 0.88 KMT2A (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL12060911 0.87 IDO1 (0.47) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL16496996 0.87 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3814131 0.87 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1589942 0.87 SCD (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29624718 0.87 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3814137 0.87 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL12265488 0.87 KDM4E (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1589943 0.87 SCD (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4267298 0.86 ACACB (0.59) ACACB

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
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed