SCHEMBL23447232

SCHEMBL23447232

CCOCCOCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ TLR2 O60603 5/20 0.44
▸ TLR1 Q15399 1/20 0.43
▸ GLP1R P43220 4/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ MDM2 Q00987 1/20 0.38

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
SCHEMBL24235720 0.91 TLR2 (0.51) KMT2ATLR2TLR1MDM2
SCHEMBL24235620 0.89 KMT2A (0.46) KMT2ATLR2TLR1GLP1RMDM2
SCHEMBL17322760 0.88 TLR2 (0.47) TLR2MDM2
SCHEMBL26634478 0.87 GLP1R (0.47) KMT2ATLR2TLR1GLP1RMDM2
SCHEMBL24235668 0.87 KLK7 (0.44) KMT2ATLR2TLR1
SCHEMBL26634480 0.86 TLR2 (0.43) KMT2ATLR2TLR1GLP1RTPSAB1
SCHEMBL29716739 0.85 KMT2A (0.41) KMT2ATLR2TLR1
SCHEMBL19542209 0.85 TLR2 (0.56) KMT2ATLR2TPSAB1
SCHEMBL19541911 0.85 TLR2 (0.56) KMT2ATLR2TPSAB1
SCHEMBL20450572 0.84 KMT2A (0.49) KMT2ATLR2TLR1GLP1RMDM2

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
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