SCHEMBL6551210

SCHEMBL6551210

O=c1[nH]c(=O)n([C@@H]2OC[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
HBB P68871 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6551205 1.00 HSP90AA1 (0.40) HSP90AA1LMNAMAPTESR1SMN1; SMN2
SCHEMBL9002444 0.80 HTR1A (0.56) HSP90AA1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL9002435 0.80 HTR1A (0.56) HSP90AA1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL25373051 0.74 LMNA (0.47) HSP90AA1LMNAMAPTESR1SMN1; SMN2
SCHEMBL9097523 0.74 LMNA (0.63) LMNASMN1; SMN2TYMS
SCHEMBL9097516 0.74 LMNA (0.63) LMNASMN1; SMN2TYMS
SCHEMBL5664254 0.74 TK1 (0.46) LMNABCHEALDH1A1
SCHEMBL8088523 0.73 LMNA (0.45) HSP90AA1LMNAMAPTESR1SMN1; SMN2
SCHEMBL26125321 0.73 LMNA (0.43) HSP90AA1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL9100241 0.72 HSP90AA1 (0.54) HSP90AA1LMNASMN1; SMN2TYMS

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-0788507-B1 L-PYRANOSYL NUCLEOSIDES GENENCOR INT (US) 2004-12-15 EP disclosed
US-5885972-A ANTICARCINOGENIC AGENT GENENCOR INTERNATIONAL, INC. (US) 1999-03-23 US disclosed