SCHEMBL14067005

SCHEMBL14067005

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
APP P05067 1/20 0.39
MIF P14174 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MAPK1 P28482 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35

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
SCHEMBL12965355 0.87 TRPA1 (0.38) ESR1ESR2MAPK1
SCHEMBL825660 0.84 ESR1 (0.44) ESR1ESR2APPMIFPDCD1
SCHEMBL14066976 0.84 NQO2 (0.35) ESR1ESR2APPMIFADRB1
SCHEMBL20090404 0.81 ESR1 (0.47) ESR1ESR2MIFPDCD1CD274
SCHEMBL8850119 0.78 APP (0.49) ESR1ESR2APPMIFPDCD1
SCHEMBL14067018 0.78 ELANE (0.53) ESR1ESR2MIF
SCHEMBL15697338 0.78 ESR1 (0.47) ESR1ESR2MIF
SCHEMBL8628683 0.78 ESR1 (0.47) ESR1ESR2MIF
SCHEMBL19679939 0.77 ESR1 (0.37) ESR1ESR2APPMIFADRB2
SCHEMBL1617663 0.77 LMNA (0.43) ESR1ESR2MAPK1

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
US-8501382-B1 Acid amplifiers THE RESEARCH FOUNDATION OF STATE UNIV. OF NEW YORK (US) 2013-08-06 US disclosed
US-8501382-B1 Acid amplifiers THE RESEARCH FOUNDATION OF STATE UNIV. OF NEW YORK (US) 2013-08-06 US disclosed
US-20080220597-A1 Photoresists and methods for use thereof ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-09-11 US disclosed
US-7297616-B2 Methods, photoresists and substrates for ion-implant lithography ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2007-11-20 US disclosed