SCHEMBL28846451

SCHEMBL28846451

CCOC(OCC)C1Oc2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL10773834 0.71 MEN1 (0.30) KMT2AGAAMEN1
SCHEMBL11001435 0.71 LTA4H (0.37) L3MBTL1CA2POLBESR2KMT2A
SCHEMBL6159693 0.70 P2RX4 (0.36) ALDH1A1POLBKMT2AKDM4EGAA
SCHEMBL3928537 0.70 P2RX4 (0.36) ALDH1A1POLBKMT2AKDM4EGAA
SCHEMBL11815677 0.69 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBKMT2ANPC1
SCHEMBL692925 0.69 LTA4H (0.37) ALDH1A1CA2
SCHEMBL11549002 0.68 CA2 (0.37) ALDH1A1L3MBTL1CA2POLBESR2
SCHEMBL30064621 0.65 L3MBTL1 (0.37) L3MBTL1CA2POLBESR2
SCHEMBL17592745 0.65 L3MBTL1 (0.37) L3MBTL1CA2POLBESR2
SCHEMBL30457732 0.65 L3MBTL1 (0.37) L3MBTL1CA2POLBESR2

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-106999361-A The composition of active material comprising encapsulating in drop and other compartments 宝洁公司 2017-08-01 CN claimed
CN-106999893-A Method for being encapsulated in active material in drop and other compartments 宝洁公司 2017-08-01 CN claimed