SCHEMBL31060461

SCHEMBL31060461

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.59
PLG P00747 1/20 0.57
CD2 P06729 1/20 0.56
CD58 P19256 1/20 0.56
ELANE P08246 4/20 0.52
SRC P12931 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGAV P06756 2/20 0.50
ITGB5 P18084 2/20 0.50
SLC6A3 Q01959 1/20 0.50
TCF4 P15884 1/20 0.50
CTNNB1 P35222 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
CIB1 Q99828 1/20 0.49
NTSR1 P30989 4/20 0.49
EPHA2 P29317 1/20 0.48

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
SCHEMBL29886515 0.84 ELANE (0.57) ST14ELANEITGB3ITGAVITGB5
Cyclopsychotride A SCHEMBL30116118 0.81 ELANE (0.61) ST14PLGELANEITGB3ITGAV
SCHEMBL32676347 0.79 PSMB11 (0.53) ELANECIB1
SCHEMBL1773188 0.77 ELANE (0.50) ST14ELANECIB1
SCHEMBL29359789 0.77 ELANE (0.61) ST14PLGELANESLC6A3CIB1
SCHEMBL17131965 0.77 FLT1 (0.56) PLGITGB3ITGAVITGB5ITGB1
SCHEMBL17133082 0.77 FLT1 (0.57) PLGELANEITGB3ITGAVITGB5
SCHEMBL29352662 0.76 HDAC8 (0.49) ELANE
SCHEMBL10049951 0.76 ITGB3 (0.60) CD2CD58ITGB3ITGAVITGB5
Bacillomycin D(C15) SCHEMBL27055650 0.76 PLG (0.52) ST14PLGELANEITGB3ITGAV

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed