SCHEMBL17480080

SCHEMBL17480080

CCCOCCOCCNC(=O)CCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 4/20 0.34
HPGD P15428 2/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.32
PCNA P12004 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CASP2 P42575 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
RAB9A P51151 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
SCHEMBL24917491 0.94 CA12 (0.32) CA12CA1CA2CA4CA9
SCHEMBL24916957 0.94 CA12 (0.32) CA12CA1CA2CA4CA9
SCHEMBL19704124 0.92 HPGD (0.35) HPGDKMT2ACASP2L3MBTL1CNR1
SCHEMBL17739922 0.92 HPGD (0.35) HPGDKMT2ACASP2L3MBTL1CNR1
SCHEMBL24916681 0.91 HPGD (0.32) CA12CA1CA2CA4CA9
SCHEMBL17740140 0.88 CASP2 (0.46) HPGDEPHX2CASP2L3MBTL1
SCHEMBL17739921 0.88 CASP2 (0.46) HPGDEPHX2CASP2L3MBTL1
SCHEMBL25978334 0.88 CA2 (0.36) CA12CA1CA2CA4CA9
SCHEMBL25523395 0.88 CA2 (0.36) CA12CA1CA2CA4CA9
SCHEMBL24630303 0.87 ALDH1A1 (0.30) MEN1KMT2A

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
US-9249186-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2016-02-02 US disclosed
US-9249186-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2016-02-02 US disclosed