SCHEMBL28964197

SCHEMBL28964197

CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GFER P55789 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PREP P48147 2/20 0.46
ACE2 Q9BYF1 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSL P07711 1/20 0.44
CTRB1 P17538 1/20 0.44
AADAT Q8N5Z0 1/20 0.44

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
SCHEMBL28964198 1.00 TSHR (0.52) TSHRL3MBTL1GFERMEN1KMT2A
SCHEMBL28946571 0.85 TSHR (0.54) TSHRL3MBTL1GFERMEN1KMT2A
SCHEMBL28946573 0.85 TSHR (0.54) TSHRL3MBTL1GFERMEN1KMT2A
SCHEMBL6172743 0.81 L3MBTL1 (0.51) TSHRL3MBTL1GFERKMT2AALDH1A1
SCHEMBL31427469 0.79 SIGMAR1 (0.45) NPSR1TMEM97SIGMAR1PREPACE2
SCHEMBL13230394 0.79 KDM4E (0.71) TSHRL3MBTL1GFERMEN1KMT2A
SCHEMBL30511007 0.78 OPRD1 (0.49) TSHRL3MBTL1GFERKMT2ANPSR1
SCHEMBL27978282 0.78 FKBP1A (0.52) TSHRL3MBTL1KMT2ANPSR1KDM4E
SCHEMBL3070354 0.78 PDE4B (0.49) TSHRL3MBTL1GFERKMT2AALDH1A1
SCHEMBL3070355 0.78 PDE4B (0.49) TSHRL3MBTL1GFERKMT2AALDH1A1

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-115490708-B Sulfonamide macrocyclic derivative, preparation method and application thereof 苏州亚盛药业有限公司 2025-01-24 CN disclosed
CN-115490708-A Sulfonamide macrocyclic derivatives, and preparation method and application thereof 苏州亚盛药业有限公司 2022-12-20 CN disclosed