SCHEMBL9820171

SCHEMBL9820171

CCOC(CCC(=O)CCC(=O)OC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 3/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
SLC1A1 P43005 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8431695 0.88 TSHR (0.50) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL29035615 0.86 TSHR (0.48) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL8434211 0.81 TSHR (0.54) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL28758843 0.77 GABRP (0.34) KDM4EKMT2A
SCHEMBL25187 0.77 TSHR (0.81) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL10481290 0.77 TSHR (0.81) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL2844179 0.74 KMT2A (0.41) LMNAKMT2AMEN1TP53
SCHEMBL9736888 0.73 TSHR (0.65) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL16972752 0.73 TSHR (0.65) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL8432909 0.73 TSHR (0.46) TSHRLMNAKDM4EHSD17B10KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3151372-A None JP disclosed
JP-H03151372-A PRODUCTION OF GAMMA-JASMOLACTONE TOYOTAMA KORYO KK 1991-06-27 JP disclosed