SCHEMBL9864532

SCHEMBL9864532

CCC(CC)(c1cc(-c2ccc([S+](C)[O-])cc2)no1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDR P35968 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL512927 0.82 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6820625 0.70 POLB (0.41) KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL9864525 0.69 MAPT (0.36) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8864055 0.67 CHRNA4 (0.32)
SCHEMBL6405891 0.64 POLB (0.49) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6802370 0.63 FDPS (0.32)
SCHEMBL5859053 0.60 PTPN5 (0.46)
SCHEMBL9863815 0.59 MAPT (0.37) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL515676 0.59 ALDH1A1 (0.45) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL513204 0.59 HDAC6 (0.44) MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed