SCHEMBL23587809

SCHEMBL23587809

COCCOCC(O)CNCCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CASR P41180 2/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6936408 0.87 KDM4E (0.43) KDM4EPOLBALDH1A1KMT2ACYP3A4
SCHEMBL13269710 0.78 USP2 (0.62) KDM4EKMT2ACYP3A4MAPTCASR
SCHEMBL3924210 0.78 USP2 (0.62) KDM4EKMT2ACYP3A4MAPTCASR
SCHEMBL8457923 0.78 USP2 (0.62) KDM4EKMT2ACYP3A4MAPTCASR
SCHEMBL23587813 0.78 USP2 (0.49) KDM4EALDH1A1KMT2ACYP3A4MAPT
SCHEMBL314577 0.78 USP2 (0.62) KDM4EKMT2ACYP3A4MAPTCASR
SCHEMBL5533039 0.78 USP2 (0.62) KDM4EKMT2ACYP3A4MAPTCASR
SCHEMBL9804472 0.78 KDM4E (0.39) KDM4EPOLBALDH1A1KMT2ACASR
SCHEMBL13260768 0.77 KDM4E (0.40) KDM4EPOLBALDH1A1KMT2ACYP3A4
SCHEMBL15965450 0.77 MEN1 (0.43) KDM4EPOLBALDH1A1KMT2AMAPT

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-2021132252-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIA, AND MAGNETIC RECORDING MEDIUM 昭和電工株式会社 2021-07-01 WO disclosed