SCHEMBL14459552

SCHEMBL14459552

CCCCC1=C(OC)C(=O)C(C)=C(C)C1=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALOX5 P09917 19/20 0.56
MPEG1 Q2M385 4/20 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
SCHEMBL17123724 0.93 MAPT (0.75) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL14407319 0.87 MAPT (0.68) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL5146178 0.84 MAPT (0.64) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL5143424 0.84 MAPT (0.64) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL16465116 0.84 MAPT (0.78) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL16464673 0.84 MAPT (0.78) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL5588607 0.84 ALOX5 (0.62) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL9578637 0.81 ALDH1A1 (0.69) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL21026408 0.80 MAPT (0.84) ALDH1A1MAPTTHRBTDP1ALOX5
SCHEMBL11857681 0.79 MAPT (0.96) ALDH1A1MAPTTHRBTDP1ALOX5

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
WO-2007095631-A2 NEW DRUG DELIVERY SYSTEM FOR CROSSING THE BLOOD BRAIN BARRIER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed