SCHEMBL11020536

SCHEMBL11020536

O=C(O)CCCCCCCCCCCCC(=O)[C@@H](O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@]1(O)C(=O)CCCCCCCCCCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.37
ESR1 P03372 1/20 0.37
TSHR P16473 1/20 0.34
PMP22 Q01453 1/20 0.34
HBB P68871 1/20 0.34
TYMS P04818 1/20 0.32
NT5E P21589 1/20 0.32
P2RY6 Q15077 1/20 0.32
P2RY14 Q15391 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK5 Q16478 1/20 0.31
ABCG2 Q9UNQ0 3/20 0.30
ABCB1 P08183 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
SCHEMBL11022379 1.00 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL3179329 0.92 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL3185225 0.92 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL2419477 0.92 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL3183300 0.92 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10428773 0.92 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9747028 0.92 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9821380 0.92 LMNA (0.41) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9744350 0.91 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10458148 0.86 LMNA (0.41) LMNASMN1; SMN2MAPTESR1TSHR

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
EP-0151189-A1 ANTINEOPLASTIC AGENT TEIJIN LIMITED (JP) 1985-08-14 EP disclosed