SCHEMBL8302334

SCHEMBL8302334

CC(O)CN1CCN(C(=O)O)CCN(C(=O)O)CC(C)N(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5551312 0.85 KDM4E (0.43) PIK3CDLMNAALOX15TSHRHSD17B10
SCHEMBL5551323 0.85 PIK3CD (0.33) PIK3CDLMNAALOX15TSHRHSD17B10
SCHEMBL8927900 0.84 KMT2A (0.42) PIK3CDLMNAHTT
SCHEMBL8560245 0.84 ALDH1A1 (0.43) ALOX15HTTL3MBTL1
SCHEMBL26655290 0.83 PIK3CD (0.52) PIK3CDBRD4
SCHEMBL26655296 0.83 PIK3CD (0.52) PIK3CDBRD4
SCHEMBL7995036 0.83 TSHR (0.41) SMN1; SMN2LMNAALOX15TSHRHSD17B10
SCHEMBL4150920 0.83 TSHR (0.41) SMN1; SMN2LMNAALOX15TSHRHSD17B10
SCHEMBL8928194 0.82 PDK1 (0.35) PIK3CDLMNAHTT
SCHEMBL21354258 0.81 TSHR (0.41) SMN1; SMN2LMNAALOX15TSHRHSD17B10

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
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
EP-0643705-B1 PROCESS FOR PRODUCING N-beta-g(b)-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,7,10-TETRAAZACYCLODODECANE AND N-beta-g(b)-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,8,11-TETRAAZACYCLOTETRADECANE DERIVATIVES AND THEIR METAL COMPLEXES SCHERING AG (DE) 1999-03-31 EP disclosed
EP-0643705-A1 PROCESS FOR PRODUCING N-$g(b)-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,7,10-TETRAAZACYCLODODECANE AND N-$g(b)-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,8,11-TETRAAZACYCLOTETRADECANE DERIVATIVES AND THEIR METAL COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-22 EP disclosed
US-5386028-A Process for the production of N-β-hydroxyalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and N-β-hydroxyalkyl-tri-N-carboxyalkyl-1,4,8,11-tetraazacyclotetradecane derivatives and their metal complexes SCHERING AKTIENGESELLSCHAFT (DE) 1995-01-31 US disclosed
WO-1993024469-A1 PROCESS FOR PRODUCING N-β-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,7,10-TETRAAZACYCLODODECANE AND N-β-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,8,11-TETRAAZACYCLOTETRADECANE DERIVATIVES AND THEIR METAL COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed