SCHEMBL5598798

SCHEMBL5598798

COC(=O)C(C)C(O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
ABCB1 P08183 1/20 0.36
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL4011787 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ABCB1CA7
SCHEMBL5511881 0.80
SCHEMBL2159081 0.80
SCHEMBL5518792 0.80
SCHEMBL13946795 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CA14CA12ABCB1CA7
SCHEMBL784551 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CA14CA12ABCB1CA7
SCHEMBL16126140 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ABCB1CA7
SCHEMBL14116704 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ABCB1CA7
SCHEMBL16126141 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ABCB1CA7
SCHEMBL7123594 0.78

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
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
CN-114945566-A Substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2022-08-26 CN disclosed
EP-1501777-A4 DIRECT, ENANTIOSELECTIVE ALDOL COUPLING OF ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2007-03-28 EP disclosed
EP-1501777-A1 DIRECT, ENANTIOSELECTIVE ALDOL COUPLING OF ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-02-02 EP disclosed
WO-2003089396-A1 DIRECT, ENANTIOSELECTIVE ALDOL COUPLING OF ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-10-30 WO disclosed
US-4448980-A BY CARBONYLATION WITH BIFLUORIDE CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-15 US disclosed