SCHEMBL29991993

SCHEMBL29991993

O=C(O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.54
▸ MDM4 O15151 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PTPN1 P18031 7/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MME P08473 1/20 0.49
▸ TNF P01375 1/20 0.47

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
SCHEMBL30366747 1.00 CASP3 (0.54) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL30337038 0.96 CASP3 (0.54) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL30688532 0.93 MDM4 (0.55) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL17431965 0.93 MDM4 (0.55) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL29432643 0.93 MDM4 (0.55) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL29483566 0.93 MDM4 (0.55) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL10049934 0.93 MDM4 (0.55) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL31053396 0.90 MDM4 (0.52) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL378040 0.90 CASP3 (0.64) CASP3MDM4TP53KMT2A
SCHEMBL378041 0.90 CASP3 (0.64) CASP3MDM4TP53KMT2A

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-113292508-B Synthetic method of cyclic dipeptide containing asparagine or glutamine 陕西慧康生物科技有限责任公司 2022-09-27 — — CN disclosed
Send feedback