SCHEMBL11368173

SCHEMBL11368173

CCCCCCOc1ccc2c(c1)C(=O)C(O)=C(O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
ALDH1A1 P00352 1/20 0.67
GAA P10253 1/20 0.67
RAB9A P51151 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PTPN1 P18031 1/20 0.55
NR5A1 Q13285 1/20 0.54
PTPN11 Q06124 3/20 0.52
POLB P06746 1/20 0.51
DNMT1 P26358 1/20 0.51
RAD52 P43351 1/20 0.51
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
CHRNA7 P36544 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL11371731 1.00 MAPT (0.67) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL11358368 0.95 MAPT (0.72) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL918880 0.91 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7619627 0.91 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL28037754 0.87 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL538924 0.87 MAPT (0.74) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL31003494 0.87 MAPT (0.74) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL23960774 0.86 MAPT (0.64) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL538615 0.85 MAPT (0.67) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL19072255 0.84 MAPT (0.58) MAPTKMT2AMEN1NPC1ALDH1A1

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
US-4255405-A 2,3-DIESTERS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed