SCHEMBL7353183

SCHEMBL7353183

[O]CCCCCOC(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.81
LMNA P02545 3/20 0.59
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6369018 1.00 TDP1 (0.81) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL7295230 1.00 TDP1 (0.81) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL7296129 0.98 TDP1 (0.85) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL7288016 0.92 TDP1 (0.81) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL2069111 0.92 TDP1 (0.96) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL17466182 0.92 TDP1 (0.96) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL11896606 0.92 TDP1 (0.96) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL223238 0.92 TDP1 (0.96) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL225815 0.92 TDP1 (0.96) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL11896235 0.92 TDP1 (0.96) TDP1LMNASLC6A2SLC6A3KMT2A

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
CN-100562511-C 2-aryl-acetic acids, their derivative and contain their pharmaceutical composition DOMPE SPA (IT) 2009-11-25 CN claimed
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