SCHEMBL31411722

SCHEMBL31411722

COC(=O)c1ccc2c(c1)SCC(=O)N2CC1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GSK3B P49841 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
SCHEMBL31411699 0.91 POLB (0.65) POLBSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL31411647 0.85 LMNA (0.50) POLBMAPTALDH1A1LMNANPY5R
SCHEMBL31411536 0.81 GSK3B (0.56) POLBSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL24233398 0.80 CRHR1 (0.45) POLBSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL31411575 0.78 SMN1; SMN2 (0.54) POLBSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL31411623 0.78 POLB (0.51) POLBSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL31411738 0.78 POLB (0.51) POLBSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL31411631 0.77 ALDH1A1 (0.56) POLBSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL31411693 0.77 POLB (0.50) POLBSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL8551997 0.76 POLB (0.70) POLBSMN1; SMN2MAPTHPGDALDH1A1

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 — — CN disclosed
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