SCHEMBL29548170

SCHEMBL29548170

COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)CCCN1C(=O)C=CC1=O)[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)NCCCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PLK1 P53350 1/20 0.35
▸ CAPN1 P07384 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ MGLL Q99685 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PTGS1 P23219 4/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL25130446 0.91 AKT1 (0.45) AKT1PLK1CAPN1MGLLHDAC3
SCHEMBL23451321 0.91 AKT1 (0.45) AKT1PLK1CAPN1MGLLHDAC3
SCHEMBL25330704 0.89 AKT1 (0.40) AKT1HPGDHTTSMN1; SMN2PLK1
SCHEMBL29467661 0.89 GLP1R (0.43) AKT1HPGDHTTSMN1; SMN2PLK1
SCHEMBL25332401 0.86 GLP1R (0.41) AKT1HPGDHTTSMN1; SMN2PLK1
SCHEMBL29467572 0.86 GLP1R (0.41) AKT1HPGDHTTSMN1; SMN2PLK1
SCHEMBL29548331 0.86 HPGD (0.36) HPGDHTTSMN1; SMN2MGLLMAPT
SCHEMBL23451337 0.86 AKT1 (0.46) AKT1PLK1CAPN1ELANEPTGS1
SCHEMBL31690588 0.85 AKT1 (0.42) AKT1HPGDHTTSMN1; SMN2PLK1
SCHEMBL24872427 0.85 AKT1 (0.40) AKT1SMN1; SMN2CAPN1TLR2MGLL

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
EP-3986463-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2022-04-27 — — EP disclosed
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