SCHEMBL11852601

SCHEMBL11852601

CCOC(=O)CCCCCCN(CCCC(O)COc1ccc(OC)cc1)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ GAA P10253 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
SCHEMBL11726052 0.91 FAAH (0.40) ALDH1A1
SCHEMBL11730758 0.91 TDP1 (0.45) ALDH1A1
SCHEMBL11722951 0.90 TSHR (0.46) ALDH1A1BCHEACHE
SCHEMBL11725299 0.87 PTGFR (0.43) ALDH1A1CA1CA2CA4CA7
SCHEMBL11730979 0.85 HPGD (0.44) ALDH1A1
SCHEMBL11731367 0.85 ALDH1A1 (0.36) TBXAS1ALDH1A1
SCHEMBL11730056 0.84 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL11732457 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11730168 0.84 TBXA2R (0.46) ALDH1A1
SCHEMBL11730458 0.84 ALDH1A1 (0.37) ALDH1A1

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
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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