SCHEMBL6055221

SCHEMBL6055221

CC(O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.47
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ UGT2B7 P16662 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ PTPN5 P54829 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL18287905 0.84 ELANE (0.55) ACACBSLC6A2SLC6A4SLC6A3ELANE
SCHEMBL6319027 0.83 ACACB (0.45) ACACBSLC6A2SLC6A4SLC6A3ELANE
SCHEMBL760472 0.82 ACACB (0.46) ACACBSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL1046494 0.81 PDE2A (0.54) ACACBSLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL18291828 0.81 PDE2A (0.54) ACACBSLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL14465633 0.80 KDM4E (0.52) ACACBSLC6A2SLC6A4SLC6A3ELANE
SCHEMBL5316583 0.80 KDM4E (0.52) ACACBSLC6A2SLC6A4SLC6A3ELANE
SCHEMBL15869220 0.79 ACACB (0.44) ACACBSLC6A2SLC6A4SLC6A3ELANE
SCHEMBL196277 0.79 ACACB (0.44) ACACBSLC6A2SLC6A4SLC6A3ELANE
SCHEMBL15869207 0.79 ACACB (0.44) ACACBSLC6A2SLC6A4SLC6A3ELANE

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 8 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
EP-0183970-B1 P-ALKOXYCYCLOHEXYLALKANOLS AND THEIR ESTERS, THEIR PREPARATION AND USE AS PERFUMING AGENTS BASF Aktiengesellschaft (DE) 1987-09-09 — — EP disclosed
US-4654167-A p-Alkoxycyclohexylalkanols and p-alkoxycyclohexylalkyl esters and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1987-03-31 — — US disclosed
EP-0183970-A1 p-Alkoxycyclohexylalkanols and their esters, their preparation and use as perfuming agents BASF Aktiengesellschaft (DE) 1986-06-11 — — EP disclosed
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