SCHEMBL7060802

SCHEMBL7060802

CCC(CC)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
CYP3A4 P08684 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
NPC1 O15118 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MTOR P42345 2/20 0.45
RAB9A P51151 2/20 0.45
KCNK2 O95069 2/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1C Q13936 2/20 0.45
HTR2C P28335 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL10875839 0.89 PPARG (0.43) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL10876391 0.89 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6054793 0.85 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11162895 0.82 ACACB (0.42) SMN1; SMN2
SCHEMBL15473214 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL21654186 0.82 MAPT (0.44) LMNANPC1RAB9AKDM4EALOX15
SCHEMBL5405838 0.81 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL16281815 0.80 PDE2A (0.45) SLC6A4SLC6A2SLC6A3LMNAHRH3
SCHEMBL178405 0.77 CYP3A4 (0.58) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL22197477 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027316-B1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INST TECHNOLOGY (US) 2003-05-21 EP disclosed
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP disclosed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP disclosed
EP-1027316-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-08-16 EP disclosed
WO-1998015515-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-04-16 WO disclosed