SCHEMBL8887908

SCHEMBL8887908

CC(O)CC(N)(Cl)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9422189 0.72 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9HIF1ATSHR
SCHEMBL1686176 0.71 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9HIF1ATSHR
SCHEMBL3120245 0.71
SCHEMBL561857 0.71
SCHEMBL48411 0.71 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9HIF1ATSHR
Hydrochloric Acid SCHEMBL17255869 0.70 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9HIF1ATSHR
SCHEMBL3056770 0.70
SCHEMBL11079305 0.69 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9HIF1ATSHR
SCHEMBL1371544 0.69
SCHEMBL7073060 0.68 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9HIF1ATSHR

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
US-5690996-A FUNCTIONALIZED WITH ION EXCHANGE GROUPS, METAL CHELATE GROUPS, ANTIBODIES, ANTIGENS, DYES, LECTINS, ENZYMES, CHROMATOGRAPHIC ADSORBENTS SEPRAGEN (US) 1997-11-25 US disclosed
US-5492723-A MIXING CELLULOSE, SODIUM HYDROXIDE, WATER, PREPARING VISCOSE, ADDING SODIUM SULFATE AND CALCIUM CARBONATE PARTICLES, COTTON LINTERS, CROSSLINKING, DISSOLVING NON-CROSSLINKED CELLULOSE IN ALKALI, REGENERATING CROSSLINKED CELLULOSE SEPRAGEN CORPORATION (US) 1996-02-20 US disclosed
EP-0530258-B1 ADSORBENT MEDIUM SEPRAGEN CORP (US) 1995-09-20 EP disclosed
EP-0530258-A1 ADSORBENT MEDIUM. BIO ISOLATES LTD (GB) 1993-03-10 EP disclosed
WO-1991017830-A1 ADSORBENT MEDIUM BIO-ISOLATES LIMITED (GB) 1991-11-28 WO disclosed