SCHEMBL10092111

SCHEMBL10092111

C=C1CSCC(OC(C)=O)C(C)SC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PTGS2 P35354 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
SCHEMBL10039168 0.79 KMT2A (0.30) KMT2ANPSR1KDM4E
SCHEMBL2059903 0.76 KDM4E (0.33) KMT2ANPSR1KDM4ECHRM2CHRM4
Acetic Acid SCHEMBL4637617 0.73 KDM4E (0.33) KMT2ANPSR1KDM4ECHRM2CHRM4
SCHEMBL10092122 0.69 NLRP3 (0.31)
SCHEMBL19261955 0.65 CHRM2 (0.43) KMT2ANPSR1KDM4ECHRM2CHRM4
SCHEMBL19261971 0.65 CHRM2 (0.43) KMT2ANPSR1KDM4ECHRM2CHRM4
SCHEMBL5132662 0.64 KMT2A (0.51) KMT2ANPSR1KDM4ECHRM2CHRM4
SCHEMBL13813013 0.64 NPC1 (0.31)
SCHEMBL8970352 0.63 KMT2A (0.50) KMT2ANPSR1KDM4ECHRM2CHRM4
SCHEMBL19000390 0.62

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-20120019938-A1 CURABLE RESIN COMPOSITION FOR CEMENTED LENS, IMAGING LENS, AND METHOD FOR MANUFACTURING IMAGING LENS FUJIFILM CORPORATION (JP) 2012-01-26 US disclosed
US-20120019938-A1 CURABLE RESIN COMPOSITION FOR CEMENTED LENS, IMAGING LENS, AND METHOD FOR MANUFACTURING IMAGING LENS FUJIFILM CORPORATION (JP) 2012-01-26 US disclosed