SCHEMBL31218682

SCHEMBL31218682

CN(CCCOC1CCCCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.43
TMEM97 Q5BJF2 5/20 0.43
FKBP1A P62942 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PREP P48147 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL21996926 0.84 SMN1; SMN2 (0.49) SIGMAR1TMEM97L3MBTL1NPSR1
SCHEMBL30872630 0.80 FKBP1A (0.48) SIGMAR1TMEM97FKBP1AL3MBTL1NPSR1
SCHEMBL27140255 0.79 SMN1; SMN2 (0.52) NPSR1KDM4E
SCHEMBL7813620 0.78 FKBP1A (0.53) SIGMAR1TMEM97FKBP1ANPSR1PREP
SCHEMBL34474623 0.78 PREP (0.47) SIGMAR1L3MBTL1NPSR1PREPHTR2C
SCHEMBL30511005 0.78 PREP (0.47) SIGMAR1L3MBTL1NPSR1PREPHTR2C
SCHEMBL30958002 0.78 KLK7 (0.49) SIGMAR1TMEM97FKBP1AL3MBTL1KDM4E
SCHEMBL21998139 0.77 L3MBTL1 (0.56) SIGMAR1L3MBTL1HTR2CSLC6A4LMNA
SCHEMBL11489453 0.77 TMEM97 (0.53) SIGMAR1TMEM97FKBP1AL3MBTL1NPSR1
SCHEMBL6651386 0.77 SMN1; SMN2 (0.54)

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-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 CN disclosed