SCHEMBL11819418

SCHEMBL11819418

COCC(CN(C)c1ccccc1)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN9A Q15858 1/20 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
SCHEMBL11827528 0.86 POLB (0.50) KMT2AKDM4EPOLBMAPT
SCHEMBL11825838 0.85 PTGS2 (0.38) MEN1KMT2AL3MBTL1KDM4EKCNH2
SCHEMBL11829453 0.85 SLC18A3 (0.45) MMP12CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11819381 0.83 MEN1 (0.39) MMP12MEN1KMT2APOLBMAPT
SCHEMBL11822953 0.82 MMP12 (0.38) MMP12MEN1KMT2ACHRNB2CHRNB4
SCHEMBL10473142 0.81 CA12 (0.36) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL11821132 0.78 ALDH1A1 (0.42) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL10917745 0.77 SMN1; SMN2 (0.43) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL11834084 0.75 PTGS2 (0.39) MMP12MEN1KMT2AL3MBTL1KDM4E
SCHEMBL19158147 0.74 MAPT (0.49) MEN1KMT2AL3MBTL1KDM4EPOLB

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
US-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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