SCHEMBL6014971

SCHEMBL6014971

CC(C)(C)OOCC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
LMNA P02545 4/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 1/20 0.33
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
VDR P11473 4/20 0.30

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
SCHEMBL6015151 0.87 MAPK1 (0.40) MAPK1TSHRTDP1
SCHEMBL10887904 0.84 AR (0.38) ARLMNAUSP2ALDH1A1MAPK1
SCHEMBL26665099 0.81 MAPK1 (0.36) MAPK1TSHRTDP1
Ethane SCHEMBL28093262 0.76 LMNA (0.47) ARLMNAUSP2ALDH1A1MAPK1
SCHEMBL28528506 0.76 MAPK1 (0.36) MAPK1TSHRTDP1
SCHEMBL30755 0.76 LMNA (0.53) ARLMNAUSP2ALDH1A1MAPK1
SCHEMBL116799 0.75 MAPK1 (0.56) ARLMNAUSP2ALDH1A1MAPK1
SCHEMBL8083397 0.75 MAPK1 (0.56) ARLMNAUSP2ALDH1A1MAPK1
SCHEMBL9634505 0.75 MAPK1 (0.56) LMNAALDH1A1MAPK1TSHRTDP1
SCHEMBL12083370 0.75 MAPK1 (0.56) ARLMNAUSP2ALDH1A1MAPK1

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-1639072-A1 SOLVENT TREATMENT OF FABRIC ARTICLES The Procter & Gamble Company (US) 2006-03-29 EP claimed
US-20050223500-A1 Solvent treatment of fabric articles THE PROCTER & GAMBLE COMPANY 2005-10-13 US claimed
WO-2005003278-A1 SOLVENT TREATMENT OF FABRIC ARTICLES THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 WO claimed
CN-107207389-A Process for producing glycerol t-butyl ether 沙特基础工业全球技术有限公司 2017-09-26 CN disclosed