SCHEMBL20076071

SCHEMBL20076071

COCCOCCCNCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
ALDH1A1 P00352 5/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL22906505 0.88 KDM4E (0.40) CA2ALDH1A1KDM4EKMT2ASCN1A
SCHEMBL21725671 0.88 KDM4E (0.40) CA2ALDH1A1KDM4EKMT2ASCN1A
SCHEMBL20324094 0.88 KDM4E (0.40) CA2ALDH1A1KDM4EKMT2ASCN1A
SCHEMBL20075871 0.88 KDM4E (0.40) CA2ALDH1A1KDM4EKMT2ASCN1A
SCHEMBL20075965 0.88 KDM4E (0.40) CA2ALDH1A1KDM4EKMT2ASCN1A
SCHEMBL14707752 0.87 ALDH1A1 (0.40) CA2ALDH1A1KDM4EKMT2AHRH4
SCHEMBL20322537 0.84 ALDH1A1 (0.44) ALDH1A1EPHX2KDM4EHRH4HRH3
SCHEMBL23521014 0.83 ALDH1A1 (0.33) CA2ALDH1A1EPHX2KDM4EKMT2A
SCHEMBL5910765 0.83 ALDH1A1 (0.41) CA2ALDH1A1EPHX2KDM4EKMT2A
SCHEMBL18551477 0.82 ALDH1A1 (0.44) ALDH1A1EPHX2HRH4HRH3SMN1; 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
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed