SCHEMBL28171065

SCHEMBL28171065

CC(C)COc1cccc(OC(N)=O)c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ PTGER1 P34995 1/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 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
SCHEMBL28014414 0.76 SIRT2 (0.44) LMNAAKR1C3SIRT2PTGER1MEN1
SCHEMBL27953858 0.71 SMN1; SMN2 (0.54) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL27644538 0.70 HPGD (0.51) LMNACYP1A2SMN1; SMN2TP53
SCHEMBL17660559 0.70 HRH1 (0.57) LMNACYP1A2SMN1; SMN2TP53
SCHEMBL13763533 0.69 HTT (0.71) KDM4ELMNAALDH1A1SIRT2HTT
SCHEMBL1726422 0.69 HRH1 (0.37) KDM4ESMN1; SMN2SIRT2MEN1KMT2A
SCHEMBL28014412 0.69 LMNA (0.48) KDM4ELMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8848443 0.69 CA12 (0.55) LMNAALDH1A1PTGER1NFKB1NFKB2
SCHEMBL5255375 0.68 ALDH1A1 (0.48) KDM4EALDH1A1MRGPRX4MEN1MAPT
SCHEMBL10786068 0.68 ALDH1A1 (0.68) KDM4ELMNACYP1A2SMN1; SMN2ALDH1A1

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
CN-107200707-A A kind of Mo Fanselin preparation method 河北科技大学 2017-09-26 — — CN disclosed
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