SCHEMBL31298690

SCHEMBL31298690

CC(C)Cc1ccc(CCCC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.46
▸ GRB2 P62993 1/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ TLR1 Q15399 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CXCR3 P49682 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 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
SCHEMBL30783463 0.95 PTPN1 (0.43) PTPN1GRB2TLR2TLR1KMT2A
SCHEMBL30783464 0.95 PTPN1 (0.43) PTPN1GRB2TLR2TLR1KMT2A
SCHEMBL31298682 0.92 PTPN1 (0.41) PTPN1GRB2TLR2TLR1KMT2A
SCHEMBL32670193 0.91 PTPN1 (0.41) PTPN1GRB2TLR2TLR1PAX8
SCHEMBL15964057 0.89 ALB (0.46) PTPN1TLR2TLR1KMT2ACXCR3
SCHEMBL1755616 0.86 PAX8 (0.55) TLR2TLR1KMT2APAX8TDP1
SCHEMBL12214994 0.84 MMP1 (0.49) TLR2TLR1KMT2APAX8TDP1
SCHEMBL30783506 0.84 KMT2A (0.49) TLR2TLR1KMT2APAX8TDP1
SCHEMBL30783473 0.84 KMT2A (0.49) TLR2TLR1KMT2APAX8TDP1
SCHEMBL30783454 0.84 KMT2A (0.49) TLR2TLR1KMT2APAX8TDP1

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
WO-2025029608-A1 FIBROBLAST ACTIVATION PROTEIN-TARGETED COMPOSITIONS AND METHODS OF USE THEREOF RATIO THERAPEUTICS, INC. (US) 2025-02-06 — — WO disclosed
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