SCHEMBL13619398

SCHEMBL13619398

NC(=O)OC(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MMP12 P39900 2/20 0.48
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
KMT2A Q03164 1/20 0.47
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
CNR2 P34972 1/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28767958 0.92 KMT2A (0.48) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL2258395 0.91 LMNA (0.47) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL29202441 0.91 LMNA (0.47) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL18114457 0.91 LMNA (0.47) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL29144119 0.88 CNR2 (0.46) LMNAMMP12KMT2ACNR2
SCHEMBL29046858 0.85 CPA1 (0.47) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL29046856 0.85 CPA1 (0.47) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL28360416 0.84 ERAP1 (0.50) LMNAANPEPERAP1ERAP2KMT2A
Cyclohexene SCHEMBL8776821 0.82 FKBP1A (0.40) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL10392265 0.82 KMT2A (0.51) LMNAANPEPERAP1ERAP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137691-A2 1,3-DIOL SYNTHESIS VIA CONTROLLED, RADICAL-MEDIATED C-H FUNCTIONALIZATION THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-12 WO disclosed