SCHEMBL4391005

SCHEMBL4391005

CC(O)NCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNN4 O15554 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KIF11 P52732 1/20 0.36
KCNH2 Q12809 2/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
CHRM3 P20309 2/20 0.36
MRGPRX2 Q96LB1 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL6507711 0.82 KCNN4 (0.40) CYP1A2CYP2D6KCNN4CYP2C19HIF1A
SCHEMBL30534379 0.80 KCNN4 (0.43) CYP1A2CYP2D6KCNN4CYP2C19HIF1A
SCHEMBL23548035 0.77 KCNN4 (0.39) CYP1A2CYP2D6KCNN4CYP2C19HIF1A
SCHEMBL28378741 0.77 CYP1A2 (0.44) CYP1A2CYP2D6KCNN4CYP2C19HIF1A
SCHEMBL29697688 0.76 MEN1 (0.36) CYP1A2CYP2D6KCNN4ALDH1A1MEN1
SCHEMBL30471462 0.75 LARS1 (0.48) CYP1A2CYP2D6KIF11
SCHEMBL3401876 0.74 OPRM1 (0.48) CYP1A2CYP2D6KCNN4CYP2C19HIF1A
SCHEMBL2816306 0.73 ALDH1A1 (0.54) CYP1A2CYP2D6CYP2C19ALDH1A1TDP1
SCHEMBL28779165 0.73 CYP3A4 (0.43) CYP1A2CYP2D6KCNN4CYP2C19HIF1A
SCHEMBL4391010 0.73 LMNA (0.43) KCNN4CYP2C19HIF1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073767-B1 METHODS, KITS AND COMPOSITIONS FOR DETECTING AND QUANTITATING TARGET SEQUENCES BOSTON PROBES INC (US) 2009-11-25 EP disclosed
US-7135563-B2 Compositions for detecting target sequences BOSTON PROBES, INC. (US) 2006-11-14 US disclosed
US-20020058278-A1 Methods, kits and compositions for detecting and quantitating target sequences BOSTON PROBES, INC. (US) 2002-05-16 US disclosed
US-6287772-B1 USING PROBE-BASED HYBRIDIZATION ASSAYS. BOSTON PROBES, INC. 2001-09-11 US disclosed
EP-1073767-A1 METHODS, KITS AND COMPOSITIONS FOR DETECTING AND QUANTITATING TARGET SEQUENCES Boston Probes, Inc. (US) 2001-02-07 EP disclosed
WO-1999055916-A1 METHODS, KITS AND COMPOSITIONS FOR DETECTING AND QUANTITATING TARGET SEQUENCES BOSTON PROBES, INC. (US) 1999-11-04 WO disclosed