SCHEMBL28476348

SCHEMBL28476348

O=C(OC1CCCCC1)c1ccc(C(=O)OC2CCCCC2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP9 P14780 3/20 0.49
MMP12 P39900 3/20 0.49
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.47
STS P08842 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP19A1 P11511 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.44
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28969431 0.78 PTPN1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL110657 0.78 SMN1; SMN2 (0.68) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL28330191 0.76 CYP19A1 (0.40) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27647410 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27668237 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27647429 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27667920 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27647562 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27647587 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL27647433 0.76 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2AMMP9

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-111777753-B Heat-resistant flame-retardant polyester, polyester product, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2020-11-20 CN disclosed
CN-111777753-A Heat-resistant flame-retardant polyester, polyester product, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2020-10-16 CN disclosed