SCHEMBL27996379

SCHEMBL27996379

CCCOC(OCCC)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 4/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL17320591 0.90 KMT2A (0.42) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL574423 0.85 L3MBTL1 (0.39) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL17262628 0.84 ATM (0.37) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL23578461 0.82 KMT2A (0.35) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL15384175 0.79 KMT2A (0.39) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL29023776 0.78 L3MBTL1 (0.38) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL15384208 0.77 LMNA (0.35) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL4879525 0.73 KMT2A (0.40) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL17262627 0.72 HPGD (0.36) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL11007869 0.72 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HTTMAPT

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
CN-104402722-B A kind of method that levulinate and furan derivatives are prepared in lignocellulose-like biomass alcoholysis 中国科学院广州能源研究所 2016-06-08 CN disclosed
CN-104402722-A Lignocellulose biomass alcoholysis method for preparation of levulinate and furan derivative GUANGZHOU INST ENERGY CONV CAS 2015-03-11 CN disclosed