SCHEMBL11580997

SCHEMBL11580997

CCCCCCCN(C)C(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
GPR84 Q9NQS5 5/20 0.41
FFAR1 O14842 1/20 0.41
PPARD Q03181 4/20 0.40
DNM1 Q05193 3/20 0.40
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
GGPS1 O95749 3/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
TSHR P16473 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL11580999 1.00 ACE2 (0.42) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL11581636 0.84 CHRM1 (0.34) ACE2TSHRTDP1
SCHEMBL11581638 0.84 CHRM1 (0.34) ACE2TSHRTDP1
SCHEMBL2175914 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL11442609 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL5495146 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL5495147 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL7497648 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL7500724 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1
SCHEMBL7500730 0.81 ACE2 (0.44) ACE2GPR84FFAR1PPARDDNM1

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
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 US disclosed