SCHEMBL6055422

SCHEMBL6055422

CCC(O)c1ccccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 2/20 0.36
ABCB1 P08183 2/20 0.36
PRMT5 O14744 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
SCHEMBL6055458 0.86 PPARG (0.43) LMNAIRAK4TSHRALDH1A1ACHE
SCHEMBL6055168 0.84 PPARG (0.48) IRAK4ALDH1A1ACHEKDM4EPPARG
SCHEMBL30092218 0.82 LMNA (0.48) LMNATSHRALDH1A1ACHECA1
SCHEMBL3929055 0.82 LMNA (0.48) LMNATSHRALDH1A1ACHECA1
SCHEMBL3929054 0.82 LMNA (0.48) LMNATSHRALDH1A1ACHECA1
SCHEMBL12786234 0.82 LMNA (0.48) LMNATSHRALDH1A1KDM4EKMT2A
SCHEMBL19121850 0.81 TSHR (0.53) LMNAIRAK4TSHRALDH1A1ACHE
SCHEMBL12646168 0.81 IRAK4 (0.42) LMNAIRAK4TSHRALDH1A1ACHE
SCHEMBL6055191 0.81 CTDSP1 (0.49) LMNAALDH1A1KDM4ENPSR1KMT2A
SCHEMBL6055378 0.80 ALDH1A1 (0.50) LMNAIRAK4ALDH1A1ACHEKDM4E

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