SCHEMBL19529036

SCHEMBL19529036

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.48
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ TNF P01375 1/20 0.46

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
SCHEMBL19157353 1.00 TLR2 (0.48) TLR2MDM4TP53CASP3KMT2A
SCHEMBL21597893 0.91 TLR2 (0.57) TLR2MDM4TP53CASP3MDM2
SCHEMBL29401420 0.91 TLR2 (0.57) TLR2MDM4TP53CASP3MDM2
SCHEMBL29368615 0.91 TLR2 (0.57) TLR2MDM4TP53CASP3MDM2
SCHEMBL13227673 0.91 TLR2 (0.57) TLR2MDM4TP53CASP3MDM2
SCHEMBL12568245 0.91 TLR2 (0.57) TLR2MDM4TP53CASP3MDM2
SCHEMBL17790570 0.89 KMT2A (0.56) TLR2MDM4TP53CASP3KMT2A
SCHEMBL12108058 0.89 MDM2 (0.47) TLR2MDM4TP53CASP3MDM2
SCHEMBL13996828 0.89 TLR2 (0.49) TLR2MDM4TP53CASP3KMT2A
SCHEMBL12681417 0.88 PTPN1 (0.50) TLR2MDM4TP53CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239139-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE NINGBO COMBIREG PHARMACEUTICAL TECH CO LTD (CN) 2020-10-28 — — EP disclosed
EP-3239139-A1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE Shenzhen Salubris Pharmaceuticals Co., Ltd (CN) 2017-11-01 — — EP disclosed
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