SCHEMBL25547718

SCHEMBL25547718

COC(=O)c1ccc(C(=O)OCc2ccc(CO)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
HPGD P15428 2/20 0.69
NPC1 O15118 1/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
HSD17B10 Q99714 1/20 0.69
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
PKM P14618 2/20 0.58
LOXL2 Q9Y4K0 1/20 0.56
CYP4A11 Q02928 2/20 0.56
CYP4F2 P78329 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL63426 0.89 LOXL2 (0.68) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL28631592 0.89 LOXL2 (0.68) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL23771906 0.88 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL28533242 0.87 LOXL2 (0.66) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL28529337 0.87 LOXL2 (0.66) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL12891163 0.86 ALDH1A1 (0.65) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL1482628 0.84 KMT2A (0.76) SMN1; SMN2ALDH1A1HPGDNPC1GAA
SCHEMBL22388846 0.84 KMT2A (0.76) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL5893077 0.84 LOXL2 (0.61) SMN1; SMN2HPGDTSHRKMT2AMEN1
SCHEMBL481297 0.84 LOXL2 (0.61) SMN1; SMN2KDM4EALDH1A1HPGDNPC1

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
US-20230174738-A1 Sustainable Polyester from Recycled Polyethylene Terephthalate SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-06-08 US disclosed
US-20230174738-A1 Sustainable Polyester from Recycled Polyethylene Terephthalate SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-06-08 US disclosed