SCHEMBL8378153

SCHEMBL8378153

O=C(O)CCCCCCCCCCNC(=O)CN(CCN(CC(=O)O)CC(Cc1ccccc1)N(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.43
FOLH1 Q04609 1/20 0.42
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EPOR P19235 1/20 0.38
GAA P10253 1/20 0.38
MMP2 P08253 1/20 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
SCHEMBL9160309 0.91 HPGD (0.46) LMNACA1CA2CA12CA9
SCHEMBL9172385 0.89 HPGD (0.46) LMNACA1CA2CA12CA9
SCHEMBL6047708 0.87 EPOR (0.40) FOLH1CA1CA2CA12CA9
SCHEMBL6047694 0.85 EPOR (0.40) FOLH1CA1CA2CA12CA9
SCHEMBL9164952 0.85 CA1 (0.52) CA1CA2CA12CA9CA4
SCHEMBL2597563 0.83 TDP1 (0.42) LMNATSHRCA1CA2CA4
SCHEMBL3108023 0.83 TDP1 (0.42) LMNATSHRCA1CA2CA4
SCHEMBL2999347 0.83 TDP1 (0.42) LMNATSHRCA1CA2CA4
SCHEMBL9166812 0.82 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL13527700 0.79 HDAC1 (0.42) FOLH1CA1CA2CA12CA9

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-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US disclosed