SCHEMBL17145178

SCHEMBL17145178

CCCC(=O)NCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.33
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
CASP2 P42575 1/20 0.32
FOLH1 Q04609 1/20 0.32
OPRK1 P41145 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL17145180 0.93 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL18264887 0.92 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL277686 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL16328730 0.92 ALDH1A1 (0.39) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL24686922 0.90 SMN1; SMN2 (0.47) SMN1; SMN2HPGDHTTHSD17B10POLB
SCHEMBL13056345 0.90 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL19599627 0.90 TP53 (0.37) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL13056342 0.89 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL17357524 0.89 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTALDH1A1HSD17B10
SCHEMBL2607944 0.88 ALDH1A1 (0.40) SMN1; SMN2HPGDHTTALDH1A1HSD17B10

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
US-9150649-B2 Potent conjugates and hydrophilic linkers IMMUNOGEN, INC. (US) 2015-10-06 US disclosed