SCHEMBL7180146

SCHEMBL7180146

O[C@H]1CC[C@@H]2CCCCC21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.35
SLC18A3 Q16572 2/20 0.33
CTDSP1 Q9GZU7 2/20 0.32
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL2955039 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1TSHR
SCHEMBL13213063 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1TSHR
SCHEMBL6428213 0.94
SCHEMBL16691800 0.94
SCHEMBL13767450 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL1643437 0.88 CA1 (0.39) CA1CA2CA4ALDH1A1TSHR
SCHEMBL14446407 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL21757863 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL7923389 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL8161261 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824962-B1 USE OF AN OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEM (JP) 2003-05-07 EP disclosed
EP-1258292-A1 Oxidation catalytic system and oxidation process using same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-20 EP disclosed
US-5958821-A EPOXIDATION OF AN ALKENE USING A CYCLIC N-HYDROXYIMIDE AND A COCATALYST OF A COMPOUND OF A GROUP 2A OR TRANSITION METAL USING OXYGEN; CATALYST SELECTIVITY; FREE OF PHOSPHO-VANADOMOLYBDIC ACID OR TETRAPHENYLPORPHYRINTOATO MANGANESE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0824962-A1 OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed