SCHEMBL18050593

SCHEMBL18050593

CCCCC(C)(CCOC(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP4F2 P78329 4/20 0.40
CYP4A11 Q02928 4/20 0.40
PKM P14618 3/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.39
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MMP8 P22894 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 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
SCHEMBL18050525 0.93 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL18050389 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL27924507 0.88 CYP4F2 (0.48) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL18050589 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL18937351 0.85 CYP4F2 (0.41) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL27898588 0.84 MEN1 (0.53) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL21303868 0.82 MEN1 (0.56) MEN1KMT2AATMMAPTL3MBTL1
SCHEMBL18050474 0.81 CYP4F2 (0.49) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL17617207 0.80 CYP4F2 (0.46) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL8849887 0.80 CYP4F2 (0.46) ALDH1A1MEN1KMT2AATMMAPT

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-3268397-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-01-17 EP disclosed
WO-2016142335-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-09-15 WO disclosed