SCHEMBL6938176

SCHEMBL6938176

CCOC(=O)C1(C(=O)OCC)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CYP2C19 P33261 2/20 0.52
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.51
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRM1 P35372 1/20 0.48
KDM1A O60341 1/20 0.48
APP P05067 1/20 0.48

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
SCHEMBL629912 0.88 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16056413 0.86 LMNA (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7658562 0.86 L3MBTL1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL630859 0.84 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16056653 0.84 CYP2C19 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28788472 0.84 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Fluoride SCHEMBL27773141 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1OPRD1OPRK1OPRM1
SCHEMBL7838294 0.83 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3096818 0.83 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7849114 0.83 TSHR (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787739-B1 Anti-adhesive piperidine and pyrollidine -carboxylic acids GLYCOREX AB (SE) 2003-01-29 EP disclosed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-5739300-A Antiadhesive piperidine-and pyrrolidinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0787739-A1 Anti-adhesive piperidine and pyrollidine -carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-06 EP disclosed