SCHEMBL28959331

SCHEMBL28959331

CC(C)(C)OC(=O)N1CC(OCCCCOCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
STS P08842 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
USP30 Q70CQ3 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NAMPT P43490 1/20 0.42
RORC P51449 1/20 0.42
TEAD3 Q99594 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL22906672 0.98 L3MBTL1 (0.51) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL20129209 0.98 L3MBTL1 (0.47) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL20132906 0.97 L3MBTL1 (0.47) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL2387673 0.93 PRMT5 (0.47) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL13096781 0.90 STS (0.52) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL20132907 0.89 PRMT5 (0.45) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL20133355 0.89 STS (0.51) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL30750608 0.88 STS (0.50) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL31303428 0.87 STS (0.52) L3MBTL1PRMT5WDR77JAK2JAK1
SCHEMBL31618716 0.87 PRMT5 (0.49) L3MBTL1PRMT5WDR77JAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038704-A Nitrogen oxide donating PDE-5 and/or PDE-6 inhibitor compounds 日东制药股份有限公司 2022-09-09 CN disclosed
WO-2022096930-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-12 WO disclosed