SCHEMBL2039433

SCHEMBL2039433

CCCCS(=O)(=O)ONC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADH1B P00325 4/20 0.38
ADH1A P07327 4/20 0.38

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
SCHEMBL28192507 0.86 ADH1B (0.33) ALDH1A1ADH1BADH1AADH7ADH1C
SCHEMBL28217789 0.81
SCHEMBL27865718 0.77 NPC1 (0.38) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL28325410 0.74 CA1 (0.43) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL27684502 0.73 NPC1 (0.43) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL2384895 0.71 HPGD (0.44) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL19459592 0.70 ZDHHC20 (0.43) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL28082301 0.70 FAAH (0.46) CA1CA2CA12CA7CA14
SCHEMBL8746573 0.69 NPC1 (0.32) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL5122647 0.69 CA2 (0.36) NPC1S1PR2S1PR4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273808-B2 Dispersing agents for gypsum plaster compositions SIKA TECHNOLOGY AG (CH) 2012-09-25 US disclosed
US-20110160351-A1 DISPERSING AGENTS FOR GYPSUM PLASTER COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2011-06-30 US disclosed