SCHEMBL11558281

SCHEMBL11558281

CCCCCCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 15/20 0.80
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 2/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66
HPGD P15428 1/20 0.66
GAA P10253 2/20 0.65
MAOA P21397 8/20 0.64
MAOB P27338 8/20 0.64
POLB P06746 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
MAPK1 P28482 1/20 0.62
STAT1 P42224 1/20 0.62

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
SCHEMBL8983953 1.00 ALDH2 (0.80) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL10999849 1.00 ALDH2 (0.80) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL11555063 0.99 ALDH2 (0.78) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL11556173 0.96 ALDH2 (0.73) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL8816175 0.92 MAPT (0.70) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL1701152 0.89 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL8983891 0.88 MAPT (0.68) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL25216757 0.87 ALDH2 (0.79) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL8983873 0.87 MAPT (0.67) ALDH2MAPTALDH1A1MEN1NPC1
SCHEMBL10620423 0.87 ALDH2 (0.79) ALDH2MAPTALDH1A1MEN1NPC1

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-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US disclosed
US-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US disclosed