SCHEMBL14066976

SCHEMBL14066976

CC(CC(CC(C)c1ccc(O)cc1)c1cccc(O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KYNU Q16719 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
APP P05067 1/20 0.34
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
ADRB1 P08588 1/20 0.33
MIF P14174 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 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
SCHEMBL12965355 0.89 TRPA1 (0.38) ESR1ESR2LMNA
SCHEMBL20348485 0.89 ESR1 (0.35) ESR1ESR2KYNUCYP3A4LMNA
SCHEMBL14067005 0.84 ESR1 (0.42) ESR1ESR2APPADRB1MIF
SCHEMBL1617663 0.79 LMNA (0.43) ESR1ESR2LMNA
SCHEMBL825660 0.77 ESR1 (0.44) ESR1ESR2CYP3A4LMNAAPP
SCHEMBL26374288 0.77 LMNA (0.39) ESR1ESR2LMNAAPP
SCHEMBL14066995 0.75 MEN1 (0.36) KDM4E
SCHEMBL23434091 0.73 MEN1 (0.43) CYP3A4LMNAHIF1AKDM4EOPRK1
SCHEMBL14067025 0.73 ELANE (0.45) ESR1
SCHEMBL23418220 0.72 TRPA1 (0.40) ESR1ESR2LMNAOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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