SCHEMBL8635508

SCHEMBL8635508

O=C1CSC(c2ccccc2)N1CCCCCl

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ACHE P22303 1/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL8444032 0.86 PTGS1 (0.65) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL8633070 0.84 PTGS1 (0.52) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL27389982 0.82 CYP2C9 (0.53) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL8635567 0.81 PTGS1 (0.55) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL7255245 0.80 ACHE (0.71) ACHE
SCHEMBL27480003 0.79 POLB (0.48) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL27391713 0.78 CYP2C9 (0.48) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL2101055 0.77 PTGS1 (0.55) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL5417232 0.76 LMNA (0.68) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL7204874 0.75 CYP2C9 (0.56) MEN1KMT2APOLBNPSR1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed