SCHEMBL5436615

SCHEMBL5436615

CC(C)(OCC=CCO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.41
TK1 P04183 5/20 0.38
TK2 O00142 4/20 0.38
DUT P33316 1/20 0.38
KIF11 P52732 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CASR P41180 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12268294 0.83 DUT (0.50) ALDH1A1ALOX15KDM4ETK1TK2
SCHEMBL913275 0.83 DUT (0.50) ALDH1A1ALOX15KDM4ETK1TK2
SCHEMBL913276 0.83 DUT (0.50) ALDH1A1ALOX15KDM4ETK1TK2
SCHEMBL10898951 0.79 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KDM4ECYP2C19
SCHEMBL5040791 0.76 MAPK1 (0.50) ALDH1A1ALOX15MAPK1KDM4EKIF11
SCHEMBL4217975 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1KDM4EKIF11
SCHEMBL9470984 0.72 MAPK1 (0.61) ALDH1A1ALOX15MAPK1KIF11CYP2C19
SCHEMBL43427 0.70 MAPK1 (0.58) ALDH1A1ALOX15MAPK1KIF11CYP2C19
SCHEMBL5713398 0.69 MAPK1 (0.33) MAPK1
SCHEMBL5447328 0.69 MAPK1 (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060713-A1 Reactive diluents in coating formulation BP CHEMICALS LIMITED (GB) 2007-03-15 US claimed
EP-1620515-B1 REACTIVE DILUENTS IN COATING FORMULATION UNIV SOUTHERN MISSISSIPPI RES (US) 2006-12-27 EP claimed
US-20070060713-A1 Reactive diluents in coating formulation BP CHEMICALS LIMITED (GB) 2007-03-15 US disclosed
EP-1620515-B1 REACTIVE DILUENTS IN COATING FORMULATION UNIV SOUTHERN MISSISSIPPI RES (US) 2006-12-27 EP disclosed
EP-1620515-A1 REACTIVE DILUENTS IN COATING FORMULATION The University of Southern Mississippi Research Foundation (US) 2006-02-01 EP disclosed
WO-2004099329-A1 REACTIVE DILUENTS IN COATING FORMULATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-11-18 WO disclosed
WO-1997002229-A1 REACTIVE DILUENTS BP CHEMICALS LIMITED (GB) 1997-01-23 WO disclosed