SCHEMBL31557564

SCHEMBL31557564

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.46
▸ MDM2 Q00987 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TLR1 Q15399 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL16757656 1.00 TLR2 (0.46) TLR2MDM2KMT2ATLR1PTPN1
SCHEMBL16757654 1.00 TLR2 (0.46) TLR2MDM2KMT2ATLR1PTPN1
SCHEMBL18291439 0.96 KMT2A (0.46) TLR2MDM2KMT2ATLR1
SCHEMBL29716713 0.94 TLR2 (0.45) TLR2MDM2PTPN1
SCHEMBL31648943 0.94 TLR2 (0.45) TLR2MDM2PTPN1
SCHEMBL31631998 0.94 TLR2 (0.45) TLR2MDM2PTPN1
SCHEMBL29716733 0.94 TLR2 (0.45) TLR2MDM2PTPN1
SCHEMBL17322760 0.94 TLR2 (0.47) TLR2MDM2PTPN1
SCHEMBL29083314 0.94 TLR2 (0.45) TLR2MDM2PTPN1
SCHEMBL26232024 0.94 TLR2 (0.45) TLR2MDM2PTPN1

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-3074010-B1 HYDRAZINYL-PYRROLO COMPOUNDS AND METHODS FOR PRODUCING A CONJUGATE REDWOOD BIOSCIENCE INC (US) 2025-05-14 — — EP disclosed
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