SCHEMBL10144324

SCHEMBL10144324

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.44
▸ HDAC4 P56524 3/20 0.39
▸ MEF2D Q14814 3/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ CPB2 Q96IY4 6/20 0.38
▸ TPSAB1 Q15661 1/20 0.36
▸ GALR1 P47211 1/20 0.36
▸ PTPN1 P18031 2/20 0.35

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
SCHEMBL10144208 0.92 TLR2 (0.40) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10144213 0.92 TLR2 (0.40) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10143518 0.91 TLR2 (0.43) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10144446 0.90 TLR2 (0.43) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10144209 0.90 TLR2 (0.39) TLR2TPSAB1
SCHEMBL10144194 0.90 MDM2 (0.39) TLR2HDAC4TPSAB1
SCHEMBL10144210 0.89 MDM2 (0.40) TLR2HDAC4TPSAB1
SCHEMBL10143502 0.89 TLR2 (0.45) TLR2HDAC4MEF2DEP300TPSAB1
Galnon SCHEMBL4464884 0.88 TLR2 (0.44) TLR2HDAC4MEF2DEP300CPB2
Galnon SCHEMBL29711017 0.88 TLR2 (0.44) TLR2HDAC4MEF2DEP300CPB2

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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