SCHEMBL7978668

SCHEMBL7978668

COC(=O)/C=C/[C@@H]1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.37
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PREP P48147 1/20 0.36
FKBP1A P62942 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7978671 1.00 EPHX1 (0.40) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL6158638 1.00 EPHX1 (0.40) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL7993095 0.96 HSD17B10 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL19965342 0.96 HSD17B10 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL16551786 0.96 HSD17B10 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL7993092 0.96 HSD17B10 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL29039394 0.96 HSD17B10 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL6159240 0.96 HSD17B10 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL5940033 0.86 HSD17B10 (0.44) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL5940026 0.86 HSD17B10 (0.44) EPHX1HSD17B10HPGDSMN1; SMN2NPC1

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-6228872-B1 PEPTIDE-PROLYL ISOMERASE AND ROTAMASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2001-05-08 US disclosed