SCHEMBL828870

SCHEMBL828870

CCC(C(=O)O)n1nnnc1S

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 4/20 0.33
MAPT P10636 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL11356705 0.98 HCAR3 (0.38) HCAR3ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL11349865 0.87 CMA1 (0.35) HCAR3MAPT
SCHEMBL11363553 0.85 CMA1 (0.34) HCAR3
SCHEMBL11353511 0.84 CA2 (0.36) HCAR3ALDH1A1MAPK1MAPT
SCHEMBL11364413 0.82 GPR84 (0.37) HCAR3MAPT
SCHEMBL18839845 0.81 HCAR3 (0.40) HCAR3ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL11358820 0.81 GPR84 (0.39) HCAR3MAPT
SCHEMBL829122 0.77 ALDH1A1 (0.41) HCAR3ALDH1A1KDM4EHPGDHCAR2
SCHEMBL20518729 0.74 HCAR3 (0.36) HCAR3ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1647137 0.70 KCNN4 (0.42) HCAR3ALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728898-B1 Electrolytes for the deposition of gold alloys ROHM & HAAS ELECT MAT (US) 2017-02-22 EP disclosed
US-8142637-B2 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-27 US disclosed
US-20090104463-A1 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC 2009-04-23 US disclosed
US-7465385-B2 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-12-16 US disclosed
US-20060283714-A1 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2006-12-21 US disclosed
EP-1728898-A2 Electrolytes for the deposition of gold alloys Rohm and Haas Electronic Materials LLC (US) 2006-12-06 EP disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 US disclosed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US disclosed
US-4100346-A Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids BRISTOL-MYERS COMPANY (US) 1978-07-11 US disclosed
US-4068066-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4065622-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed