SCHEMBL31197652

SCHEMBL31197652

CC(C)(C)OC(=O)N1CCCCC1OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRK1 P41145 1/20 0.42
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PREP P48147 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL31218918 0.87 CHRM2 (0.47) HPGDEPHX1HSD17B10OPRK1LMNA
SCHEMBL30627206 0.86 HPGD (0.42) HPGDEPHX1HSD17B10OPRK1LMNA
SCHEMBL28100905 0.83 HPGD (0.49) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL28516773 0.83 HPGD (0.49) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL5246013 0.80 HSD17B10 (0.47) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL26603927 0.80 HPGD (0.47) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL27720507 0.80 HPGD (0.47) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL10782598 0.80 HSD17B10 (0.47) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL15221624 0.79 HPGD (0.46) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL16352852 0.79 HPGD (0.46) HPGDEPHX1HSD17B10PREPSMN1; SMN2

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
CN-118574827-A BRM targeting compounds and related methods of use 阿维纳斯运营公司 2024-08-30 CN disclosed