SCHEMBL8632685

SCHEMBL8632685

COc1cc(C2SCC(=O)N2CCBr)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL8633554 0.89 SMN1; SMN2 (0.52) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8632507 0.89 SMN1; SMN2 (0.59) SMN1; SMN2PTGS1PTGS2GAAMAPT
SCHEMBL8629755 0.77 KCNA5 (0.46) SMN1; SMN2PTGS1PTGS2GAAMAPT
SCHEMBL8634977 0.76 KCNA5 (0.50) SMN1; SMN2PTGS1PTGS2GAAKCNA5
SCHEMBL27409991 0.75 TUBB4A (0.56) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8629659 0.74 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL8635567 0.74 PTGS1 (0.55) SMN1; SMN2PTGS1PTGS2MAPTMEN1
SCHEMBL8632464 0.72 SMN1; SMN2 (0.47) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8633557 0.71 PTGS1 (0.56) PTGS1PTGS2GAAMEN1KMT2A
SCHEMBL8633582 0.71 PTGS1 (0.62) PTGS1PTGS2GAAMAPTKDM4E

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-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
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed