SCHEMBL7297973

SCHEMBL7297973

[O]COCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACHE P22303 6/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7298054 1.00
SCHEMBL17707231 0.97
SCHEMBL4884899 0.88
SCHEMBL5880633 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL6047745 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL19860394 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL9083002 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL21357398 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL8936938 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL841798 0.82 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed