SCHEMBL7900182

SCHEMBL7900182

CCOC[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)OCC)N1Cc2cc(N)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
SDCBP O00560 5/20 0.44
SDC2 P34741 5/20 0.44
MAPT P10636 6/20 0.42
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7257431 0.88 THRB (0.46) THRBSDCBPSDC2MAPTALOX15
SCHEMBL6446130 0.79 TNF (0.46) THRBMAPTALOX15SMN1; SMN2LMNA
SCHEMBL6450587 0.79 TNF (0.46) THRBMAPTALOX15SMN1; SMN2LMNA
SCHEMBL7257350 0.73 TP53 (0.43) MEN1KMT2APOLB
SCHEMBL7976084 0.69 LMNA (0.44) THRBMAPTALOX15LMNA
SCHEMBL9087773 0.69 NR1H2 (0.39) THRBMAPTALOX15SMN1; SMN2MEN1
SCHEMBL6447529 0.68 DHFR (0.52) MAPTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL6447536 0.68 DHFR (0.52) MAPTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL23877050 0.67 NR1H2 (0.39) THRBMAPTALOX15SMN1; SMN2LMNA
SCHEMBL3797261 0.66 TNF (0.58) MAPTALOX15MEN1KMT2ALMNA

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
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed