SCHEMBL28185341

SCHEMBL28185341

O=C1c2ccccc2C(=O)c2cc(OC(O)O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.52
BCL2 P10415 1/20 0.50
MCL1 Q07820 1/20 0.50
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 2/20 0.47
ELANE P08246 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CDC25B P30305 1/20 0.46
MAPT P10636 3/20 0.46
MAOA P21397 2/20 0.46
PTPRC P08575 1/20 0.46

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
SCHEMBL10489419 0.79 MEN1 (0.55) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL3912083 0.79 TTR (0.55) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL10060240 0.79 ALOX15 (0.41) ALDH1A1TDP1MEN1KMT2AMAOA
SCHEMBL15085173 0.78 MAPT (0.62) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL17554244 0.78 TTR (0.53) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL11298871 0.78 KMT2A (0.55) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL11044160 0.78 TTR (0.49) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL10880408 0.78 TTR (0.49) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL28482981 0.77 MEN1 (0.53) TTRBCL2MCL1NPC1ALDH1A1
SCHEMBL4642778 0.77 MAPT (0.61) TTRNPC1ALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559198-A Medicine special for treating lumbar disc herniation 杨守信 2021-10-29 CN disclosed
CN-107412389-A It is a kind of that there is the Morinda officinalis anthraquinone component extracting method for rushing down lower effect 安徽博格生物科技有限公司 2017-12-01 CN disclosed