SCHEMBL21747494

SCHEMBL21747494

COc1cc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCN(C(=O)O)CC4)ccc3o2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 8/20 0.53
TP53 P04637 4/20 0.53
THRB P10828 2/20 0.53
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
SIRT1 Q96EB6 2/20 0.47
GAA P10253 1/20 0.46
MCHR1 Q99705 1/20 0.46
KDR P35968 1/20 0.45

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
SCHEMBL21747443 0.92 HSD17B10 (0.58) HSD17B10NPSR1MAPTTP53THRB
SCHEMBL30468278 0.90 HSD17B10 (0.53) HSD17B10NPSR1MAPTTP53THRB
SCHEMBL21747455 0.90 SIRT1 (0.58) HSD17B10NPSR1MAPTTP53THRB
SCHEMBL21747469 0.89 HSD17B10 (0.48) HSD17B10NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL21747456 0.88 HSD17B10 (0.54) HSD17B10NPSR1MAPTTP53THRB
SCHEMBL21747446 0.85 TP53 (0.49) HSD17B10NPSR1MAPTTP53HPGD
SCHEMBL21747471 0.82 HDAC1 (0.50) HSD17B10NPSR1MAPTKDM4EALDH1A1
SCHEMBL30468309 0.81 GPR119 (0.45) HSD17B10MAPTHPGDKDM4EALDH1A1
SCHEMBL21747477 0.80 SIRT1 (0.51) HSD17B10TP53HPGDSMN1; SMN2KDM4E
SCHEMBL21747493 0.79 SIRT1 (0.51) HSD17B10NPSR1MAPTHPGDKDM4E

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-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP disclosed