SCHEMBL7322373

SCHEMBL7322373

CC(=O)OCC(=O)/C(=C/c1cccc(Cl)c1Cl)C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
PLIN1 O60240 1/20 0.32
POLB P06746 1/20 0.32
PLIN5 Q00G26 1/20 0.32
ABHD5 Q8WTS1 1/20 0.32
PPP1R15A O75807 1/20 0.32
MELK Q14680 1/20 0.32
PPP1R15B Q5SWA1 1/20 0.32

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
SCHEMBL7322381 1.00 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7320586 0.90 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7320591 0.90 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7983994 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7984000 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL9760205 0.75 MAPT (0.45) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL9760210 0.75 MAPT (0.45) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7281037 0.75 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7281040 0.75 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL15026426 0.73 CA1 (0.46) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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
EP-0311053-A2 Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP claimed
US-5494923-A Method of ameliorating cerebral circulation BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
US-5444077-A Ameliorant of cerebral circulation and optical isomer of NB-818, processes for its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0311053-A2 Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed