SCHEMBL16604342

SCHEMBL16604342

CCOC(=O)C(C)(CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
MMP8 P22894 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL14725133 1.00 PKM (0.43) PKMKDM4ECYP4F2CYP4A11MMP8
SCHEMBL1537694 0.89 PKM (0.50) PKMKDM4ECYP4F2CYP4A11MMP8
SCHEMBL847248 0.86 ALDH1A1 (0.48) PKMKDM4ECYP4F2CYP4A11MMP8
SCHEMBL22200846 0.86 SERPINE1 (0.34)
SCHEMBL22200732 0.86 SERPINE1 (0.34)
SCHEMBL11967441 0.86 MAPK1 (0.35) ALDH1A1CYP3A4
SCHEMBL12395023 0.86 SERPINE1 (0.34)
SCHEMBL22200833 0.86 SERPINE1 (0.34)
SCHEMBL16317719 0.86 DGAT1 (0.34) PKMKDM4E
SCHEMBL19530335 0.85 THRB (0.34) PKMKDM4EALDH1A1THRBCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000605-B2 Smart polymer materials with excess reactive molecules MEDIPACS, INC. (US) 2018-06-19 US disclosed
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US disclosed
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US disclosed