SCHEMBL9445744

SCHEMBL9445744

O=C1OC(OO)Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
ACHE P22303 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.36

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
SCHEMBL1072092 0.76 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL2729912 0.72 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL10856992 0.71 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL10850238 0.71 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL2807200 0.71 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL1294648 0.71 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL6254274 0.69 LMNA (0.64) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL2490658 0.69 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL29448273 0.69 LMNA (0.64) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL24325912 0.68 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216175-A Polyoxoheterocyclic tetracylic derivatives SRI INTERNATIONAL (US) 1993-06-01 US disclosed
EP-0479970-A1 ANTIMALARIAL ANALOGS OF ARTEMISININ SRI INTERNATIONAL (US) 1992-04-15 EP disclosed
WO-1991014689-A1 ANTIMALARIAL ANALOGS OF ARTEMISININ SRI INTERNATIONAL (US) 1991-10-03 WO disclosed