SCHEMBL8529540

SCHEMBL8529540

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TET2 Q6N021 6/20 0.43
TET3 O43151 2/20 0.43
TET1 Q8NFU7 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OR51E2 Q9H255 1/20 0.40
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
TP53 P04637 1/20 0.33

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
SCHEMBL18219058 0.90
SCHEMBL17424556 0.90
SCHEMBL163737 0.90
SCHEMBL2059417 0.81 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL15049081 0.76 SMN1; SMN2 (0.44) SMN1; SMN2TET2TET3TET1ALDH1A1
SCHEMBL5542149 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1OR51E2
SCHEMBL8060390 0.75 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1ALDH1A1
SCHEMBL8060386 0.75 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1ALDH1A1
SCHEMBL8071224 0.75 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1ALDH1A1
SCHEMBL4410670 0.75 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689424-B1 AEROSOL FORMULATION CONTAINING AN ESTER-, AMIDE-, OR MERCAPTOESTER-DERIVED DISPERSING AID MINNESOTA MINING & MFG (US) 1998-10-14 EP disclosed
US-5725841-A METERED DOSE INHALER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US disclosed
US-5569450-A DRUG DELIVERY TO LUNGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-29 US disclosed
EP-0689424-A1 AEROSOL FORMULATION CONTAINING AN ESTER-, AMIDE-, OR MERCAPTOESTER-DERIVED DISPERSING AID MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-03 EP disclosed
WO-1994021229-A1 AEROSOL FORMULATION CONTAINING AN ESTER-, AMIDE-, OR MERCAPTOESTER-DERIVED DISPERSING AID MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-09-29 WO disclosed