SCHEMBL27514830

SCHEMBL27514830

[CH2]C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.44
SLC47A1 Q96FL8 2/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
SLC22A1 O15245 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35

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
SCHEMBL23111396 0.79 SLC22A2 (0.50) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL4027679 0.77 SLC22A2 (0.48) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL27740239 0.75 SLC22A2 (0.48) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL40513 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL8344710 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTSMN1; SMN2NPC1
SCHEMBL182779 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL14306348 0.72 SLC22A2 (0.44) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL25492074 0.69 MAPT (0.57) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL19758138 0.69 SMN1; SMN2 (0.53) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1
SCHEMBL5711911 0.69 SLC22A2 (0.46) SLC22A2SLC47A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712599-A Novel sulfonic acid derivative compound and novel naphthalic acid derivative compound ADEKA CORP 2012-10-03 CN disclosed
CN-100577651-C Lactam compound and medicinal use thereof AJINOMOTO KK 2010-01-06 CN disclosed
CN-1911915-A Lactam compound and medicinal use thereof AJINOMOTO KK (JP) 2007-02-14 CN disclosed
CN-1269818-C Lactam compounds and pharmaceutical use thereof AJINOMOTO KK (JP) 2006-08-16 CN disclosed
CN-1487940-A Lactam compounds and pharmaceutical use thereof ֮����ʽ���� 2004-04-07 CN disclosed