SCHEMBL24049024

SCHEMBL24049024

O=C(OCC1CO1)c1ccc(OC(Oc2ccc(C(=O)OCC3CO3)cc2)(Oc2ccc(C(=O)OCC3CO3)cc2)Oc2ccc(C(=O)OCC3CO3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
DHFR P00374 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL24048615 0.88 TP53 (0.43) MGLLMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL22357194 0.87 MGLL (0.47) MGLLMEN1CYP1A2KMT2ALMNA
SCHEMBL38933 0.87 MGLL (0.47) MGLLMEN1CYP1A2KMT2ALMNA
SCHEMBL1029379 0.86 SMN1; SMN2 (0.46) MGLLMEN1CYP1A2KMT2ALMNA
Water SCHEMBL28237529 0.85 MGLL (0.46) MGLLMEN1CYP1A2KMT2ALMNA
SCHEMBL27538597 0.85 MGLL (0.46) MGLLMEN1CYP1A2KMT2ALMNA
SCHEMBL19892095 0.84 ALDH1A1 (0.55) MEN1CYP1A2KMT2ALMNASMN1; SMN2
SCHEMBL217123 0.84 ALDH1A1 (0.55) MEN1CYP1A2KMT2ALMNASMN1; SMN2
SCHEMBL30460787 0.84 HSD17B10 (0.43) MGLLMEN1CYP1A2KMT2ALMNA
SCHEMBL14727179 0.84 ALDH1A1 (0.55) MEN1CYP1A2KMT2ALMNASMN1; SMN2

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-20220119588-A1 RECYCLABLE AND REWORKABLE EPOXY RESINS ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) 2022-04-21 US disclosed
US-20210363287-A1 RECYCLABLE AND REWORKABLE EPOXY RESINS ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) 2021-11-25 US disclosed
US-20210363288-A1 RECYCLABLE AND REWORKABLE EPOXY RESINS ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) 2021-11-25 US disclosed