SCHEMBL20168868

SCHEMBL20168868

CCOC(=O)N(CCCC(=O)O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.40
KDM4A O75164 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
AKR1B1 P15121 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
GPR84 Q9NQS5 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33

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
SCHEMBL20165471 0.90 KDM4C (0.41) KDM4CKDM4APHF8KDM2ACA12
SCHEMBL14229142 0.85 MMP1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL25063454 0.83 KDM4C (0.38) KDM4CKDM4APHF8KDM2ACA12
SCHEMBL23846674 0.82 GGPS1 (0.39) CA12CA1CA2CA9
SCHEMBL20165511 0.81 AKR1B1 (0.47) KDM4CPHF8CA12CA1CA9
SCHEMBL18388303 0.81 CA12 (0.41) CA12CA1CA2CA9TSHR
SCHEMBL10087929 0.80 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL12763775 0.77 CA12 (0.43) CA12CA1CA2CA9TSHR
SCHEMBL14200270 0.75 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL14229151 0.73 MMP1 (0.42) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 WO disclosed