Sugi Predict

Sugi Predict / Compounds / SCHEMBL29561499

SCHEMBL29561499

SCHEMBL29561499

COc1ccc(C(NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.56
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ CASP3 P42574 2/20 0.49
▸ TNF P01375 2/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL119621 1.00 MDM2 (0.56) MDM2MDM4TP53CASP3TNF
SCHEMBL119373 0.91 MDM4 (0.55) MDM2MDM4TP53CASP3TLR2
SCHEMBL119478 0.90 MDM2 (0.59) MDM2MDM4TP53CASP3TNF
SCHEMBL29493132 0.85 MDM2 (0.53) MDM2MDM4TP53CASP3TNF
SCHEMBL2310128 0.83 MDM2 (0.60) MDM2MDM4TP53CASP3TNF
SCHEMBL29400972 0.83 MDM2 (0.60) MDM2MDM4TP53CASP3TNF
SCHEMBL2310132 0.83 MDM2 (0.60) MDM2MDM4TP53CASP3TNF
SCHEMBL30813320 0.83 MDM2 (0.60) MDM2MDM4TP53CASP3TNF
SCHEMBL1311051 0.83 MDM2 (0.60) MDM2MDM4TP53CASP3TNF
SCHEMBL29402409 0.83 MDM2 (0.60) MDM2MDM4TP53CASP3TNF

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
CN-112062835-B Preparation method of bivalirudin 扬子江药业集团四川海蓉药业有限公司 2022-04-26 — — CN claimed
CN-112062835-B Preparation method of bivalirudin 扬子江药业集团四川海蓉药业有限公司 2022-04-26 — — CN disclosed