SCHEMBL23445925

SCHEMBL23445925

CCNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.52
▸ MDM2 Q00987 3/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ TLR1 Q15399 1/20 0.49
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CXCR3 P49682 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL19602150 1.00 TLR2 (0.52) TLR2MDM2KMT2ATLR1CA1
SCHEMBL23446479 0.96 TLR2 (0.53) TLR2MDM2KMT2ATLR1CXCR3
SCHEMBL30895590 0.93 MDM2 (0.55) TLR2MDM2KMT2ATLR1CXCR3
SCHEMBL9933933 0.93 MDM2 (0.55) TLR2MDM2KMT2ATLR1CXCR3
SCHEMBL16328803 0.93 TLR2 (0.59) TLR2MDM2KMT2ATLR1
SCHEMBL30972264 0.92 CASP3 (0.49) TLR2MDM2KMT2ATLR1CA1
SCHEMBL30895597 0.92 MDM2 (0.54) TLR2MDM2KMT2ATLR1CXCR3
SCHEMBL29386955 0.92 MDM2 (0.56) TLR2MDM2KMT2ATLR1MDM4
SCHEMBL17002047 0.92 MDM2 (0.51) TLR2MDM2KMT2ATLR1CA1
SCHEMBL16185928 0.92 TLR2 (0.53) TLR2MDM2KMT2ATLR1CA1

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-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 — — WO disclosed
Send feedback