SCHEMBL6562004

SCHEMBL6562004

C=CCCCC(C=C)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ABCC4 O15439 1/20 0.46
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
DDAH1 O94760 1/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.30

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
SCHEMBL11497223 0.78 FAAH (0.52) MAPTLMNAUSP2SLC6A2BLM
SCHEMBL8227251 0.75 MAPT (0.46) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL6559575 0.73 PLA2G2C (0.42) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL8227704 0.71 MAPT (0.42) MAPTABCC4ALDH1A1LMNAUSP2
Carbamic Acid SCHEMBL8213815 0.71 MAPT (0.42) MAPTABCC4ALDH1A1LMNADDAH1
Carbamic Acid SCHEMBL8216451 0.71 MAPT (0.42) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL11438610 0.70 TSHR (0.50) MAPTABCC4LMNAUSP2BLM
SCHEMBL32689516 0.68 FAAH (0.56) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL5859613 0.68 MAPT (0.48) MAPTABCC4ALDH1A1LMNADDAH1
SCHEMBL2805648 0.67 MAPT (0.43) MAPTABCC4ALDH1A1LMNADDAH1

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
US-6756500-B1 SUBJECTING SUBSTITUTED ALPHA, OMEGA-DIENE IN PRESENCE OF RUTHENIUM, OSMIUM OR MOLYBDENUM HOMOGENEOUS OR HETEROGENEOUS CATALYST TO METATHESIS REACTION IN PRESENCE OF IONIC LIQUID TO FORM CYCLIC COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2004-06-29 US disclosed
EP-0990641-B1 Process for the synthesis of alpha-substituted ring systems BAYER CHEMICALS AG (DE) 2004-03-17 EP disclosed
EP-1035093-B1 Metathesis in the presence of ionic liquids BAYER AG (DE) 2003-09-10 EP disclosed
US-6235925-B1 RING CLOSURE METHATHESIS AND NOBLE METAL CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
EP-1035093-A2 Metathesis in the presence of ionic liquids BAYER AG (DE) 2000-09-13 EP disclosed
EP-0990641-A1 Process for the synthesis of alpha-substituted ring systems Bayer Aktiengesellschaft (DE) 2000-04-05 EP disclosed