SCHEMBL8778847

SCHEMBL8778847

CCCCS(=O)(=O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 2/20 0.36

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
SCHEMBL7675688 0.93 CA2 (0.55) CA2TP53FAAHCES1
SCHEMBL8778762 0.91 CA2 (0.59) CA2TP53FAAHCES1
SCHEMBL11458078 0.91 CA2 (0.59) CA2TP53FAAHCES1
SCHEMBL8778734 0.91 CA2 (0.59) CA2TP53FAAHCES1
SCHEMBL8778757 0.91 CA2 (0.59) CA2TP53FAAHCES1
SCHEMBL8778697 0.91 CA2 (0.59) CA2TP53FAAHCES1
SCHEMBL8778742 0.91 CA2 (0.59) CA2TP53FAAHCES1
SCHEMBL11139496 0.87 CA2 (0.41) CA2TP53
SCHEMBL8778783 0.84
SCHEMBL2305626 0.79 CA2 (0.50) CA2TP53NPC1S1PR2S1PR4

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-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
CN-1183064-C Gas conversion using synthesis gas produced hydrogen for catalyst rejuvenation and hydrocarbon conversion ����ɭ�о����̹�˾ 2005-01-05 CN disclosed
CN-1295544-A Gas phase reforming reactions with regenerated catalyst and hydrocarbon conversion using hydrogen from synthesis gas production EXXON RESEARCH ENGINEERING CO (US) 2001-05-16 CN disclosed
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP disclosed
EP-0602914-A1 Ink compositions for ink jet printing XEROX CORPORATION (US) 1994-06-22 EP disclosed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US disclosed