SCHEMBL31107171

SCHEMBL31107171

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.48
▸ MDM2 Q00987 7/20 0.48
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ECE1 P42892 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ PTPN1 P18031 2/20 0.42

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
SCHEMBL29936662 0.95 PTPN1 (0.48) TLR2MDM2PTPN1
SCHEMBL29936841 0.95 PTPN1 (0.48) TLR2MDM2PTPN1
SCHEMBL29937186 0.95 PTPN1 (0.48) TLR2MDM2PTPN1
SCHEMBL29937048 0.95 PTPN1 (0.48) TLR2MDM2PTPN1
SCHEMBL29937042 0.94 PTPN1 (0.49) TLR2MDM2PTPN1
SCHEMBL29937088 0.94 PTPN1 (0.49) TLR2MDM2PTPN1
SCHEMBL29622972 0.92 TLR2 (0.43) TLR2MDM2PTPN1
SCHEMBL29936847 0.91 PTPN1 (0.46) TLR2MDM2PTPN1
SCHEMBL29937007 0.91 PTPN1 (0.46) TLR2MDM2PTPN1
SCHEMBL29936693 0.91 PTPN1 (0.46) 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
CN-118126119-B Tretinoin polypeptide derivative and preparation method and application thereof 荷本世新(北京)生物科技有限公司 2024-08-06 — — CN disclosed
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