SCHEMBL7713440

SCHEMBL7713440

CCCCOC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.57
▸ KMT2A Q03164 1/20 0.53
▸ PTPN1 P18031 3/20 0.49
▸ TNF P01375 2/20 0.49
▸ CASP3 P42574 1/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL30434908 1.00 TLR2 (0.57) TLR2KMT2APTPN1TNFCASP3
SCHEMBL27093960 0.96 TLR2 (0.62) TLR2KMT2APTPN1TNFCASP3
SCHEMBL27093964 0.96 TLR2 (0.62) TLR2KMT2APTPN1TNFCASP3
SCHEMBL38664780 0.94 TLR2 (0.54) TLR2KMT2APTPN1TNFCASP3
SCHEMBL7208037 0.92 TLR2 (0.54) TLR2KMT2APTPN1TNFCASP3
SCHEMBL16327986 0.90 TLR2 (0.59) TLR2TNFMDM2
SCHEMBL29907904 0.89 CASP3 (0.55) TLR2KMT2ATNFCASP3MDM2
SCHEMBL30919288 0.89 KMT2A (0.54) TLR2KMT2APTPN1CASP3MDM2
SCHEMBL4300738 0.89 KMT2A (0.58) TLR2KMT2APTPN1CASP3MDM4
SCHEMBL20504185 0.89 KMT2A (0.58) TLR2KMT2APTPN1CASP3MDM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017214297-A1 COMPOUNDS FOR DELIVERING GLUTATHIONE TO A TARGET AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2017-12-14 — — WO disclosed
WO-2015073678-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE, INC. (US) 2015-05-21 — — WO disclosed
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 — — US disclosed
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