SCHEMBL7361239

SCHEMBL7361239

CN(C)CC(O)CCCCCCO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.35
PLA2G1B P04054 2/20 0.35
MMP2 P08253 2/20 0.35
ATG4B Q9Y4P1 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RAD52 P43351 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
FFAR1 O14842 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
SCHEMBL7351183 1.00 PSMD14 (0.35) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9400786 1.00 PSMD14 (0.35) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Fluoride SCHEMBL10576296 0.98 PSMD14 (0.34) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL8977959 0.98 L3MBTL1 (0.38) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL178232 0.98 L3MBTL1 (0.38) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL7296246 0.91 MAPT (0.33) L3MBTL1LMNAPTPN1
SCHEMBL18050418 0.91 L3MBTL1 (0.39) L3MBTL1LMNAGPR84FFAR4ACACB
SCHEMBL18050409 0.91 L3MBTL1 (0.39) L3MBTL1LMNAGPR84FFAR4ACACB
SCHEMBL17261305 0.88 L3MBTL1 (0.36) L3MBTL1LMNAGPR84FFAR4ACACB
SCHEMBL7355201 0.85 HTT (0.37) L3MBTL1MEN1KMT2ATSHR

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 6 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