SCHEMBL7728958

SCHEMBL7728958

CCCCCC(=O)C(C)C.CCCCCCCCC(=O)CCCCCC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
CES2 O00748 4/20 0.57
MEN1 O00255 1/20 0.53
FAAH O00519 1/20 0.53
MAPK1 P28482 1/20 0.53
CES1 P23141 3/20 0.50
LMNA P02545 1/20 0.48
HAO1 Q9UJM8 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
SCHEMBL11162297 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL1604484 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL8773299 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL23950236 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL827134 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL23950441 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL23950237 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL23950131 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL21448801 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1
SCHEMBL14477972 0.93 CES2 (0.64) KMT2ACES2MEN1FAAHMAPK1

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
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed