SCHEMBL8907659

SCHEMBL8907659

CCCC[Sn](CCCC)(CCCC)c1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMB8 P28062 2/20 0.36
PSMB5 P28074 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ME2 P23368 1/20 0.32
ME1 P48163 1/20 0.32
ME3 Q16798 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL19658184 0.82 TDP1 (0.42) PSMB8PSMB5CYP4F2CYP4A11
SCHEMBL318285 0.80 KMT2A (0.36) KMT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL4769424 0.78 CYP4F2 (0.59) CYP4F2CYP4A11
SCHEMBL8906739 0.78 MMP1 (0.39) KMT2ASMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL9752036 0.78 L3MBTL1 (0.43) KMT2ASMN1; SMN2PSMB8PSMB5CYP4F2
SCHEMBL10589560 0.77 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1HPGDHSD17B10
SCHEMBL112099 0.76 FAAH (0.41) KMT2APSMB8PSMB5CYP4F2CYP4A11
SCHEMBL7453768 0.76 F2RL1 (0.53) KMT2ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL18353920 0.75 PSMB8 (0.37) PSMB8PSMB5CYP4F2CYP4A11ALDH1A1
SCHEMBL13920679 0.75 FFAR1 (0.42) KMT2APSMB8PSMB5CYP4F2CYP4A11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5609848-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1997-03-11 US disclosed
US-5213787-A RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-05-25 US disclosed
EP-0203764-B1 RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-03-24 EP disclosed
US-5045303-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1991-09-03 US disclosed
US-4885153-A Radiohalogenated for proteins NEORX CORPORATION (US) 1989-12-05 US disclosed
EP-0203764-A2 Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1986-12-03 EP disclosed