SCHEMBL23446680

SCHEMBL23446680

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

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ TLR2 O60603 1/20 0.47
▸ TLR1 Q15399 1/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ CASP3 P42574 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL18732865 1.00 KMT2A (0.54) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL23446481 0.96 KMT2A (0.57) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL24235786 0.92 KMT2A (0.64) KMT2ATLR2CASP3
SCHEMBL27261267 0.89 TLR2 (0.54) KMT2ATLR2TLR1MDM2MAPT
SCHEMBL30783495 0.89 TLR2 (0.54) KMT2ATLR2TLR1MDM2MAPT
SCHEMBL732427 0.88 KMT2A (0.68) KMT2ATLR2TLR1MDM2
SCHEMBL2736294 0.88 TLR2 (0.53) KMT2ATLR2TLR1MDM2MAPT
SCHEMBL15750412 0.88 KMT2A (0.53) KMT2ATLR2TLR1MDM2MEN1
SCHEMBL2947901 0.88 KMT2A (0.53) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL1738182 0.88 MDM2 (0.59) KMT2ATLR2TLR1MDM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 — — WO disclosed
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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