SCHEMBL24235668

SCHEMBL24235668

CC(C)(C)OC(=O)CCC(NC(=O)CCC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OCc1ccccc1)C(=O)NCCOCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.44
▸ KLK5 Q9Y337 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTPN1 P18031 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40

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
SCHEMBL24235620 0.93 KMT2A (0.46) KMT2ATLR2TLR1
SCHEMBL24235733 0.89 PTPN1 (0.51) KLK7KLK5KMT2AMEN1ALDH1A1
SCHEMBL23463187 0.87 PTPN1 (0.47) KLK7KLK5KMT2AMEN1ALDH1A1
SCHEMBL23475279 0.87 PTPN1 (0.48) KLK7KLK5KMT2AMEN1ALDH1A1
SCHEMBL23447232 0.87 KMT2A (0.45) KMT2ATLR2TLR1
SCHEMBL24234614 0.87 KLK7 (0.51) KLK7KLK5KMT2APTPN1MAPT
SCHEMBL23447622 0.87 KLK7 (0.54) KLK7KLK5KMT2AMAPTTLR2
SCHEMBL24235735 0.86 PTPN1 (0.51) KLK7KLK5KMT2AMEN1ALDH1A1
SCHEMBL23447632 0.86 KLK7 (0.52) KLK7KLK5KMT2APTPN1MAPT
SCHEMBL24235739 0.85 PTPN1 (0.51) KLK7KLK5KMT2AMEN1ALDH1A1

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
EP-4190361-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2023-06-07 — — EP disclosed
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
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