SCHEMBL30386840

SCHEMBL30386840

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.64
▸ TLR2 O60603 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MDM4 O15151 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ GRB2 P62993 1/20 0.49
▸ MDM2 Q00987 1/20 0.49

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
SCHEMBL29462949 1.00 PTPN1 (0.64) PTPN1TLR2KMT2AMDM4TP53
SCHEMBL29872083 0.92 PTPN1 (0.60) PTPN1TLR2MDM4TP53GRB2
SCHEMBL30153671 0.92 PTPN1 (0.56) PTPN1MDM4TP53CASP3MDM2
SCHEMBL29700028 0.92 PTPN1 (0.56) PTPN1MDM4TP53CASP3MDM2
SCHEMBL29990051 0.92 PTPN1 (0.56) PTPN1MDM4TP53CASP3MDM2
SCHEMBL12658035 0.92 PTPN1 (0.58) PTPN1TLR2KMT2AMDM4TP53
SCHEMBL30163429 0.91 PTPN1 (0.56) PTPN1TLR2KMT2ACASP3GRB2
SCHEMBL29505149 0.90 CASP3 (0.56) PTPN1KMT2AMDM4TP53CASP3
SCHEMBL14719947 0.90 KMT2A (0.57) PTPN1TLR2KMT2AMDM4TP53
SCHEMBL14997839 0.89 KMT2A (0.58) PTPN1TLR2KMT2AMDM4TP53

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-116023467-A Solid-phase synthesis method of abamectin 江苏诺泰澳赛诺生物制药股份有限公司 2023-04-28 — — CN claimed
CN-116023467-A Solid-phase synthesis method of abamectin 江苏诺泰澳赛诺生物制药股份有限公司 2023-04-28 — — CN disclosed
Send feedback