SCHEMBL18359784

SCHEMBL18359784

CC(C)(C)OC(=O)NCCCCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.75
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 4/20 0.53
TDP1 Q9NUW8 1/20 0.50
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
BRD4 O60885 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL1389312 1.00 MGLL (0.75) MGLLCA12CA1CA2CA9
SCHEMBL14907653 0.96 MGLL (0.72) MGLLCA12CA1CA2CA9
SCHEMBL14907652 0.94 MGLL (0.67) MGLLCA12CA1CA2CA9
SCHEMBL6200587 0.91 MGLL (0.62) MGLLCA12CA1CA2CA9
SCHEMBL14565135 0.89 MGLL (0.86) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL11668314 0.89 MGLL (0.86) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL27356591 0.89 MGLL (0.62) MGLLCA12CA1CA2CA9
SCHEMBL12651647 0.89 MGLL (0.62) MGLLCA12CA1CA2CA9
SCHEMBL12077169 0.89 MGLL (0.60) MGLLCA12CA1CA2CA9
SCHEMBL5362791 0.88 MGLL (0.59) MGLLCA12CA1CA2CA9

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
WO-2017210246-A2 PENICILLAMINE CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-12-07 WO disclosed
WO-2017003940-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-01-05 WO disclosed