SCHEMBL4350892

SCHEMBL4350892

[CH2]CCC(=O)OC1CCCC([S])CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 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
SCHEMBL7688442 0.91 NAAA (0.52) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4353097 0.88 NAAA (0.53) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4359405 0.87 NAAA (0.55) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4358373 0.87 NAAA (0.55) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4354334 0.87 NAAA (0.55) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4359546 0.87 NAAA (0.55) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4352953 0.87 NAAA (0.55) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4350706 0.87 NAAA (0.55) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL6968909 0.87 NAAA (0.56) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7695140 0.85 NAAA (0.58) NAAACYP2C19SMN1; SMN2HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed