SCHEMBL2323764

SCHEMBL2323764

O=[C]c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SLC9A1 P19634 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
RXRA P19793 1/20 0.46
NOTUM Q6P988 1/20 0.44
PRMT1 Q99873 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PGR P06401 1/20 0.43

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
SCHEMBL7319411 0.84 GAA (0.50) KDM4EALDH1A1SLC9A1CYP1A2CYP2C19
SCHEMBL2318440 0.80 CYP1A1 (0.42) CYP1A2CYP2C19NOTUMPRMT1CYP1A1
SCHEMBL11622587 0.76 PRMT1 (0.54) KDM4EALDH1A1SLC9A1CYP1A2CYP2C19
SCHEMBL1660370 0.76 KDM4E (0.34) KDM4EALDH1A1SLC9A1CYP1A2CYP2C19
SCHEMBL2324206 0.76 SLC9A1 (0.48) KDM4EALDH1A1SLC9A1GAAMAPK1
SCHEMBL4493820 0.76 RAB9A (0.54) KDM4EALDH1A1SLC9A1CYP1A2CYP2C19
SCHEMBL1199113 0.75 KDM4E (0.67) KDM4EALDH1A1SLC9A1CYP1A2CYP2C19
SCHEMBL1661873 0.75 NOTUM (0.46) KDM4EALDH1A1NOTUM
SCHEMBL1222870 0.74 SLC9A1 (0.67) KDM4EALDH1A1SLC9A1CYP1A2CYP2C19
SCHEMBL2346044 0.74 ALDH1A1 (0.46) ALDH1A1SLC9A1CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed