SCHEMBL20149247

SCHEMBL20149247

CC(=O)CCOCCOCCOCCOCCNC(=O)CCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 7/20 0.43
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA4 P22748 6/20 0.43
CA9 Q16790 6/20 0.43
CA14 Q9ULX7 6/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.33
CASP2 P42575 1/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL19658251 1.00 MEN1 (0.44) MEN1KMT2ACA2CA12CA1
SCHEMBL20149314 0.98 TSHR (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL15492671 0.96 MEN1 (0.47) MEN1KMT2ACA2CA12CA1
SCHEMBL17276977 0.94 TSHR (0.44) MEN1KMT2ACA2CA12CA1
SCHEMBL19658253 0.92 TSHR (0.42) MEN1KMT2ACA2CA12CA1
SCHEMBL24864547 0.91 LMNA (0.43) MEN1KMT2ACA2CA12CA1
SCHEMBL19155984 0.91 MEN1 (0.43) MEN1KMT2ACA2CA12CA1
SCHEMBL22198374 0.91 TSHR (0.52) MEN1KMT2ACA2CA12CA1
SCHEMBL22198369 0.89 TSHR (0.46) MEN1KMT2ATSHRSMN1; SMN2GAA
SCHEMBL22910481 0.89 CASP2 (0.47) MEN1KMT2ACA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed
WO-2018089373-A9 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-07-12 WO disclosed
WO-2018089373-A2 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed