SCHEMBL20149314

SCHEMBL20149314

CC(=O)CCOCCNC(=O)CCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.34
SLC15A2 Q16348 1/20 0.34
CASP2 P42575 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL20149247 0.98 MEN1 (0.44) TSHRMEN1KMT2ACA12CA1
SCHEMBL19658251 0.98 MEN1 (0.44) TSHRMEN1KMT2ACA12CA1
SCHEMBL17276977 0.96 TSHR (0.44) TSHRMEN1KMT2ACA12CA1
SCHEMBL15492671 0.94 MEN1 (0.47) TSHRMEN1KMT2ACA12CA1
SCHEMBL19658253 0.94 TSHR (0.42) TSHRMEN1KMT2ACA12CA1
SCHEMBL24864547 0.89 LMNA (0.43) TSHRMEN1KMT2ACA12CA1
SCHEMBL10261445 0.89 CA12 (0.39) TSHRMEN1KMT2ACA12CA1
SCHEMBL12221919 0.89 CASP2 (0.48) TSHRMEN1KMT2ACASP2SMN1; SMN2
SCHEMBL22198374 0.89 TSHR (0.52) TSHRMEN1KMT2ACA12CA1
SCHEMBL14445068 0.89 TSHR (0.52) TSHRMEN1KMT2ACA12CA1

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