SCHEMBL9310069

SCHEMBL9310069

O=c1[nH]c(=O)n(C2CC(CO)C(CO)C2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.60
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.48
ESR1 P03372 1/20 0.48
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HBB P68871 1/20 0.46
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL9309488 0.91 LMNA (0.53) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL599759 0.89 LMNA (0.56) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL599760 0.89 LMNA (0.56) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL9311378 0.85 LMNA (0.62) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL600417 0.85 LMNA (0.52) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL600418 0.85 LMNA (0.52) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL600416 0.85 LMNA (0.52) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL3956427 0.84 LMNA (0.51) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL3956430 0.84 LMNA (0.51) TK1LMNASMN1; SMN2MAPTESR1
SCHEMBL599660 0.82 LMNA (0.53) TK1LMNASMN1; SMN2MAPTESR1

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
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 EP disclosed