SCHEMBL28628885

SCHEMBL28628885

COC(=O)c1ccccc1OCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
TSHR P16473 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 2/20 0.62
HPGD P15428 6/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
RAB9A P51151 3/20 0.56
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50

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
SCHEMBL1095988 0.90 KMT2A (0.56) KMT2ATSHRKDM4EMEN1HPGD
SCHEMBL7910880 0.87 MAOB (0.60) KMT2ATSHRKDM4EMEN1HPGD
SCHEMBL10411181 0.81 SLC6A3 (0.58) KMT2AKDM4EL3MBTL1RAB9AHTT
SCHEMBL31123654 0.80 KDM4E (0.61) KMT2ATSHRKDM4EMEN1HPGD
SCHEMBL7911107 0.80 RAB9A (0.63) KMT2ATSHRKDM4EMEN1HPGD
SCHEMBL7787014 0.78 CAPN1 (0.57) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL9505468 0.78 KMT2A (0.76) KMT2ATSHRKDM4EMEN1HPGD
SCHEMBL1099166 0.78 TDP1 (0.57) KMT2AKDM4EHPGDL3MBTL1POLB
SCHEMBL978857 0.77 HTT (0.64) KMT2AMEN1L3MBTL1ALDH1A1NPC1
SCHEMBL1095991 0.77 HPGD (0.51) KMT2ATSHRKDM4EMEN1HPGD

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
CN-113329637-A Essential oil particles with improved stability and compositions thereof 诺华丝国际股份有限公司 2021-08-31 CN claimed
CN-113329637-A Essential oil particles with improved stability and compositions thereof 诺华丝国际股份有限公司 2021-08-31 CN disclosed
CN-113316393-A Means for increasing the bioavailability of methionine 诺华丝国际股份有限公司 2021-08-27 CN disclosed