SCHEMBL8553995

SCHEMBL8553995

CCOCCOC(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)OCCOCC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 6/20 0.33
HTR7 P34969 1/20 0.33
ESR1 P03372 3/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 3/20 0.32
ABCB11 O95342 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL8555110 0.91 ESR1 (0.39) MAPTSMN1; SMN2LMNAESR1TSHR
SCHEMBL8554378 0.91 CYP3A4 (0.40) HTR7TSHRALDH1A1CYP3A4ABCB11
SCHEMBL9792019 0.91 ALDH1A1 (0.42) MAPTMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL9791903 0.89 ESR1 (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8557024 0.88 ALK (0.32) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL8554364 0.88 CYP3A4 (0.36) MAPTSMN1; SMN2LMNAESR1TSHR
SCHEMBL9791939 0.87 ALDH1A1 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9792064 0.87 ALDH1A1 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9791974 0.87 ALDH1A1 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8555125 0.86 ADRB2 (0.34) MAPTKMT2AALDH1A1TDP1

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
EP-0507950-B1 PROCESS FOR PRODUCING DIACETALS NEW JAPAN CHEM CO LTD (JP) 1998-04-08 EP disclosed
EP-0507950-A1 PROCESS FOR PRODUCING DIACETAL NEW JAPAN CHEMICAL CO.,LTD. (JP) 1992-10-14 EP disclosed