SCHEMBL9113633

SCHEMBL9113633

[O]CCCCCCC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.57
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47
FKBP1A P62942 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.44

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
SCHEMBL27415961 1.00 GLA (0.57) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL5452859 0.98 GLA (0.59) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL5451707 0.92 GLA (0.61) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL7694058 0.92 GLA (0.65) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL9415751 0.90 GLA (0.67) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL28413664 0.87 GLA (0.56) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL9113643 0.85 GLA (0.57) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL9160397 0.85 GLA (0.57) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL5778349 0.84 L3MBTL1 (0.57) GLARAB9AL3MBTL1LMNATSHR
SCHEMBL7557661 0.83 GLA (0.56) GLARAB9AL3MBTL1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed