SCHEMBL6055102

SCHEMBL6055102

CC(C)C(O)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL6055145 0.87 UGT2B7 (0.44) AOC3PTGS1L3MBTL1ACHECETP
SCHEMBL18287934 0.85 AOC3 (0.39) AOC3PTGS1L3MBTL1CETPKIF11
SCHEMBL13119204 0.83 KDM4E (0.46) PTGS1ACHECETPKIF11MEN1
SCHEMBL18356000 0.81 PTGS1 (0.38) PTGS1ACHECETPSLC6A4KIF11
SCHEMBL23185482 0.81 PTGS1 (0.35) AOC3PTGS1ACHECETPSLC6A4
SCHEMBL18287887 0.81 PTGS1 (0.41) PTGS1L3MBTL1ATMCETPKIF11
SCHEMBL2030537 0.80 SLC6A2 (0.41) AOC3PTGS1L3MBTL1ACHESLC6A4
SCHEMBL8045780 0.80 PTGS1 (0.40) PTGS1L3MBTL1ATMACHESLC6A4
SCHEMBL2031297 0.80 SLC6A2 (0.41) AOC3PTGS1L3MBTL1ACHESLC6A4
SCHEMBL2031161 0.80 SLC6A2 (0.41) AOC3PTGS1L3MBTL1ACHESLC6A4

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-1300381-B1 Process for preparing optically active alcohols JAPAN SCIENCE & TECH AGENCY (JP) 2006-03-08 — — EP disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 — — US disclosed
EP-1300381-A1 Process for preparing optically active alcohols Japan Science and Technology Corporation (JP) 2003-04-09 — — EP disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 — — US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 — — EP disclosed
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