Sugi Predict

Sugi Predict / Compounds / SCHEMBL178799

SCHEMBL178799

SCHEMBL178799

O=C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1C2=C(CCC=C2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ MDM2 Q00987 6/20 0.47
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TLR2 O60603 3/20 0.45
▸ FOLH1 Q04609 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ TLR1 Q15399 1/20 0.41

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
SCHEMBL260631 0.87 KMT2A (0.66) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29401258 0.87 KMT2A (0.66) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29528567 0.87 KMT2A (0.66) KMT2AMDM2MDM4TP53TLR2
SCHEMBL178733 0.87 KMT2A (0.66) KMT2AMDM2MDM4TP53TLR2
SCHEMBL178698 0.87 KMT2A (0.66) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29359997 0.87 KMT2A (0.66) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29423590 0.84 KMT2A (0.64) KMT2AMDM2MDM4TP53TLR2
SCHEMBL18148920 0.84 KMT2A (0.64) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29401604 0.84 KMT2A (0.64) KMT2AMDM2MDM4TP53TLR2
SCHEMBL119709 0.84 KMT2A (0.64) KMT2AMDM2MDM4TP53TLR2

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-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — US disclosed