SCHEMBL2318440

SCHEMBL2318440

O=[C]c1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP2F1 P24903 1/20 0.42
CYP2C18 P33260 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2J2 P51589 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4F8 P98187 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL18832308 0.82 KIF11 (0.52) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2323764 0.80 KDM4E (0.52) CYP1A1CYP1A2CYP2C19CYP1B1NOTUM
SCHEMBL2325827 0.79 KDM4E (0.52) AR
SCHEMBL2318469 0.76 ALDH1A1 (0.44) CYP1A2CYP2C19
SCHEMBL2322085 0.76 ALDH1A1 (0.44) NOTUM
SCHEMBL2346044 0.75 ALDH1A1 (0.46) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL1660370 0.75 KDM4E (0.34) CYP1A2CYP2C19
SCHEMBL1661873 0.74 NOTUM (0.46) NOTUM
SCHEMBL29273187 0.73 KIF11 (0.68) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL10222192 0.72 PRMT1 (0.48) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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