SCHEMBL27464982

SCHEMBL27464982

CS(=O)(=O)OCCN(CCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
TGM2 P21980 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 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
SCHEMBL6559526 0.91 CCR6 (0.53) LMNASMN1; SMN2CCR6PAX8L3MBTL1
SCHEMBL25344783 0.91 SYK (0.47) LMNASMN1; SMN2CCR6PAX8L3MBTL1
SCHEMBL15055271 0.89 CCR6 (0.51) LMNASMN1; SMN2CCR6PAX8L3MBTL1
SCHEMBL15841146 0.88 CCR6 (0.50) LMNACCR6PAX8L3MBTL1MAPT
SCHEMBL6770668 0.85 ALDH1A1 (0.43) HTTMAPTTGM2
SCHEMBL13661453 0.84 CCR6 (0.47) LMNACCR6PAX8L3MBTL1MAPT
SCHEMBL27483085 0.84 CCR6 (0.47) LMNASMN1; SMN2CCR6PAX8CA12
SCHEMBL3524616 0.84 LMNA (0.68) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL2453446 0.83 HTT (0.60) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL4280634 0.83 PTGDR2 (0.46) LMNACCR6PAX8L3MBTL1

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-1151165-C Macrolides with anti-inflammatory activity �ź㴫 2004-05-26 CN disclosed
CN-1336932-A Macrolides with anti-inflammatory activity ZAMBON SPA (IT) 2002-02-20 CN disclosed