Sugi Predict

Sugi Predict / Compounds / SCHEMBL10144194

SCHEMBL10144194

SCHEMBL10144194

Cc1cc(=O)[nH]c2cc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TLR2 O60603 5/20 0.39
▸ TLR1 Q15399 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ HTRA1 Q92743 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL10144210 0.98 MDM2 (0.40) MDM2CA1CA2TLR2TLR1
SCHEMBL10144413 0.94 CA1 (0.40) MDM2CA1CA2TLR2TLR1
SCHEMBL10143385 0.93 MDM2 (0.38) MDM2CA1CA2TLR2TLR1
SCHEMBL10144208 0.93 TLR2 (0.40) TLR2TPSAB1SIRT5HDAC4
SCHEMBL10143383 0.93 TLR2 (0.40) MDM2CA1CA2TLR2TLR1
SCHEMBL10144432 0.92 CA1 (0.45) MDM2CA1CA2TLR2TLR1
SCHEMBL10143509 0.91 CACNA1B (0.39) MDM2CA1CA2TLR2TLR1
SCHEMBL10144209 0.91 TLR2 (0.39) TLR2TPSAB1SIRT5
SCHEMBL10144130 0.91 CA1 (0.39) MDM2CA1CA2TLR2TLR1
SCHEMBL10144213 0.90 TLR2 (0.40) TLR2TPSAB1HDAC4

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
Send feedback