SCHEMBL11323271

SCHEMBL11323271

CCOC(=O)CCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
TRPA1 O75762 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11312759 0.89 CYP1A2 (0.50) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL89183 0.85 ALDH1A1 (0.54) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL52761 0.85 ALDH1A1 (0.54) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL13412441 0.85 ALDH1A1 (0.54) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL19287024 0.85 DGKA (0.41) ALDH1A1USP2
SCHEMBL28387846 0.82 LMNA (0.49) ALDH1A1LMNAPOLB
SCHEMBL9245030 0.80 LMNA (0.57) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL17407789 0.79
SCHEMBL7804568 0.79
SCHEMBL7803427 0.79

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
CN-107987044-B Method for preparing valerolactone 万华化学集团股份有限公司 2020-08-28 CN disclosed
US-9757463-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures VANDERBILT UNIVERSITY (US) 2017-09-12 US disclosed
US-9745419-B2 Aqueous polyglycidol synthesis with ultra-low branching VANDERBILT UNIVERSITY (US) 2017-08-29 US disclosed
US-4259249-A ONE STEP, FROM AN EPOXY ESTER AND TERTIARY AMINE IN AQUEOUS ORGANIC SOLVENT THE PROCTER & GAMBLE COMPANY (US) 1981-03-31 US disclosed
US-4209616-A BACTERICIDES HAVING ALPHA-HYDROXIMINO- OR ALPHA-ACYLOIMINOACYLAMIDO GROUPS GLAXO LABORATORIES LIMITED (GB) 1980-06-24 US disclosed