SCHEMBL8365151

SCHEMBL8365151

NCCC[C@H](N)C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
KDM4E B2RXH2 1/20 0.50
F13A1 P00488 1/20 0.50
KCNH2 Q12809 2/20 0.48
MMP2 P08253 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
TERT O14746 2/20 0.46
RRM1 P23921 1/20 0.46
TLR2 O60603 1/20 0.45
ESRRB O95718 1/20 0.45
ESRRG P62508 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
SCHEMBL8365150 1.00 HDAC8 (0.53) HDAC8KDM4EF13A1KCNH2MMP2
SCHEMBL8365152 1.00 HDAC8 (0.53) HDAC8KDM4EF13A1KCNH2MMP2
SCHEMBL21095325 0.96 GNAI3 (0.52) HDAC8KDM4EF13A1KCNH2MMP2
Trifluoroacetic Acid SCHEMBL30996813 0.88 MMP2 (0.51) HDAC8MMP2GNAI3GNAO1GNAI1
SCHEMBL8360812 0.87 KCNH2 (0.50) KCNH2MMP2PLAAT3PLAAT5PLAAT2
SCHEMBL8360814 0.87 KCNH2 (0.50) KCNH2MMP2PLAAT3PLAAT5PLAAT2
SCHEMBL8360596 0.87 NLN (0.55) KCNH2MMP2PLAAT3PLAAT5PLAAT2
SCHEMBL8360597 0.87 NLN (0.55) KCNH2MMP2PLAAT3PLAAT5PLAAT2
SCHEMBL8360817 0.87 KCNH2 (0.50) KCNH2MMP2PLAAT3PLAAT5PLAAT2
SCHEMBL8360599 0.87 NLN (0.55) KCNH2MMP2PLAAT3PLAAT5PLAAT2

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-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed