SCHEMBL24840347

SCHEMBL24840347

CNCC(O)COCC(O)COC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.40
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
KISS1R Q969F8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL2891619 0.91
SCHEMBL16089122 0.91
SCHEMBL2891621 0.91
SCHEMBL24840310 0.84 KDM4E (0.61) KDM4EMAPTALDH1A1HSD17B10CASR
SCHEMBL10001671 0.84 KDM4E (0.48) KDM4EALOX15CA12CA1CA2
SCHEMBL19185687 0.83 KDM4E (0.44) KDM4EMAPTCA1CA2HSD17B10
SCHEMBL17049952 0.83 KDM4E (0.44) KDM4EMAPTCA1CA2HSD17B10
SCHEMBL13201105 0.83 KDM4E (0.44) KDM4EMAPTCA1CA2HSD17B10
SCHEMBL23587805 0.83 KDM4E (0.43) KDM4EMAPTALOX15CA12CA1
SCHEMBL21917535 0.80 KDM4E (0.50) KDM4EALOX15CA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023276954-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM 昭和電工株式会社 2023-01-05 WO disclosed