SCHEMBL8983979

SCHEMBL8983979

CC(=O)CCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
ALDH1A1 P00352 5/20 0.68
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
KDM4E B2RXH2 2/20 0.68
ALDH2 P05091 14/20 0.66
MAOA P21397 8/20 0.66
MAOB P27338 8/20 0.66
GAA P10253 2/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TP53 P04637 2/20 0.63
CYP3A4 P08684 1/20 0.63
HPGD P15428 1/20 0.63
MAPK1 P28482 2/20 0.63
POLB P06746 1/20 0.63
PTGS1 P23219 1/20 0.63
SLC6A2 P23975 1/20 0.63
STAT1 P42224 1/20 0.63

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
SCHEMBL8983992 0.91 ALDH2 (0.78) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27540611 0.89 MAPT (0.78) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8983857 0.88 ALDH2 (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8635597 0.87 ALDH2 (0.72) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8983984 0.87 MAPT (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11556173 0.87 ALDH2 (0.73) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10620423 0.87 ALDH2 (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8983987 0.87 ALDH2 (0.84) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8983889 0.87 ALDH2 (0.84) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8983891 0.86 MAPT (0.68) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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
CN-1129445-A Isoflavone derivatives CHINOIN GYOGYSZER ES VEGYESZET (HU) 1996-08-21 CN disclosed
EP-0710234-A1 ISOFLAVONE DERIVATIVES CHINOIN LTD. (HU) 1996-05-08 EP disclosed
WO-1995003293-A1 ISOFLAVONE DERIVATIVES CHINOIN LTD. (HU) 1995-02-02 WO disclosed