SCHEMBL16580140

SCHEMBL16580140

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA1 P30542 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL19384786 0.95 HPGD (0.47) PLK1AKT1CA1CA2HPGD
SCHEMBL19384704 0.95 HPGD (0.47) PLK1AKT1CA1CA2HPGD
SCHEMBL21632675 0.93 AKT1 (0.44) PLK1AKT1CA1CA2MGLL
SCHEMBL25133970 0.91 PLK1 (0.46) PLK1AKT1CA1CA2HPGD
SCHEMBL19678216 0.90 PLK1 (0.44) PLK1AKT1CA1CA2MGLL
SCHEMBL22510595 0.90 PLK1 (0.44) PLK1AKT1CA1CA2MGLL
SCHEMBL25328439 0.90 TLR2 (0.42) PLK1AKT1HPGDHTTSMN1; SMN2
SCHEMBL21989802 0.90 TLR2 (0.42) PLK1AKT1HPGDHTTSMN1; SMN2
SCHEMBL12617467 0.88 MGLL (0.54) AKT1CA1CA2MGLLADORA1
SCHEMBL30756675 0.88 MGLL (0.54) AKT1CA1CA2MGLLADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3868409-B1 THIOPHENOL-MALEIMIDE AND BROM-MALEIMIDE DERIVATIVES AS LINKER FOR ANTIBODY-DRUG CONJUGATES (ADC) FOR TREATING TUMORS REMEGEN CO LTD (CN) 2024-07-17 — — EP disclosed
WO-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 — — WO disclosed
WO-2015038426-A1 SELF-IMMOLATIVE LINKERS CONTAINING MANDELIC ACID DERIVATIVES, DRUG-LIGAND CONJUGATES FOR TARGETED THERAPIES AND USES THEREOF ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO disclosed
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