SCHEMBL8958894

SCHEMBL8958894

CC(C)(C)OC(=O)COc1ccc(C(c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(C(c3ccc(OCC(=O)OC(C)(C)C)cc3)c3ccc(OCC(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
PTPN1 P18031 3/20 0.49
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL11917864 0.94 PTPN1 (0.54) CNR1PTPN1PSEN1PSEN2APH1B
SCHEMBL9772363 0.89 RAB9A (0.52) CNR1PTPN1PSEN1PSEN2APH1B
SCHEMBL18746067 0.86 PTPN1 (0.46) CNR1PTPN1PSEN1PSEN2APH1B
SCHEMBL111936 0.84 ALDH1A1 (0.66) CNR1PTPN1PSEN1PSEN2APH1B
SCHEMBL14652405 0.84 MAPT (0.53) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL196829 0.83 PTPN1 (0.53) CNR1PTPN1PSEN1PSEN2APH1B
SCHEMBL8372961 0.83 PSEN1 (0.46) CNR1PTPN1PSEN1PSEN2APH1B
SCHEMBL17652044 0.83 SMN1; SMN2 (0.64) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL5515918 0.83 PSEN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL6654340 0.83 LMNA (0.58) PTPN1PSEN1PSEN2APH1BNCSTN

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
JP-8194313-A None JP disclosed
JP-H08194313-A POSITIVE TYPE RESIST MATERIAL SHIN ETSU CHEM CO LTD 1996-07-30 JP disclosed