SCHEMBL19965342

SCHEMBL19965342

COC(=O)/C=C\C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.40
UCHL1 P09936 1/20 0.40
USP30 Q70CQ3 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL7993092 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL29039394 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL7993095 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL6159240 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL16551786 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL7978668 0.96 EPHX1 (0.40) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL7978671 0.96 EPHX1 (0.40) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL6158638 0.96 EPHX1 (0.40) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL5744460 0.86 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1
SCHEMBL5744462 0.86 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1UCHL1

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
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed