SCHEMBL9066481

SCHEMBL9066481

CC(=O)CC(O)C(C)(O)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PGD P52209 1/20 0.36
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TET2 Q6N021 1/20 0.30

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
SCHEMBL1921128 0.79 ALDH1A1 (0.40) ALDH1A1TDP1PGD
SCHEMBL1782986 0.79 ALDH1A1 (0.40) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL5783087 0.78 ALDH1A1 (0.43) ALDH1A1TDP1PGDHMGCRCHRM1
SCHEMBL6448088 0.75 ALDH1A1 (0.46) ALDH1A1TDP1PGD
SCHEMBL6448085 0.75 ALDH1A1 (0.46) ALDH1A1TDP1PGD
SCHEMBL3908678 0.73 PIK3CD (0.40) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL19390249 0.70 ALDH1A1 (0.35) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL22173675 0.70 CYP2C9 (0.30) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL11210487 0.69 ALDH1A1 (0.43) ALDH1A1TDP1PGD
Isopropyl Alcohol SCHEMBL4854365 0.69 PIK3CD (0.45) ALDH1A1TDP1PGDHMGCRCHRM1

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
EP-0381349-B1 Pressure-sensitive film composite having improved adhesion to plasticized vinyl substrates MINNESOTA MINING & MFG (US) 1996-07-31 EP disclosed
EP-0381349-A2 Pressure-sensitive film composite having improved adhesion to plasticized vinyl substrates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-08-08 EP disclosed