SCHEMBL8322235

SCHEMBL8322235

CN(C)c1ccc(S(OS(C)(=O)=O)(c2ccc(N(C)C)cc2)c2cccc(OC3CCCCO3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
DHFR P00374 1/20 0.36
GAA P10253 3/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
RAB9A P51151 2/20 0.32
FAAH O00519 1/20 0.32
KAT6A Q92794 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL8321361 0.97 GAA (0.37) HSD11B1DHFRGAADDB1CRBN
SCHEMBL8322121 0.90 DDB1 (0.34) HSD11B1GAADDB1CRBNPOLB
SCHEMBL8319160 0.90 HSD11B1 (0.41) HSD11B1DHFRDDB1CRBNALDH1A1
SCHEMBL8649669 0.87 DHFR (0.35) HSD11B1DHFRGAADDB1CRBN
SCHEMBL8322273 0.86 GAA (0.36) GAADDB1CRBNALDH1A1HTT
SCHEMBL8319790 0.86 DDB1 (0.39) HSD11B1DHFRDDB1CRBNALDH1A1
SCHEMBL8649675 0.84 GAA (0.35) HSD11B1DHFRGAADDB1CRBN
SCHEMBL8317953 0.82 LMNA (0.37) HSD11B1ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL17120591 0.79 DDB1 (0.49) HSD11B1DHFRDDB1CRBNFAAH
SCHEMBL8323058 0.78 LMNA (0.40) ALDH1A1POLBHTTMAPK1SMN1; SMN2

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed