SCHEMBL4728130

SCHEMBL4728130

COCC1(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccc(O)c(OC)c2)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.40
TACR1 P25103 3/20 0.36
TMEM97 Q5BJF2 1/20 0.36
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4782018 0.91 CETP (0.39) CETPTACR1TMEM97KCNH2
SCHEMBL4731791 0.90 CETP (0.40) CETPTACR1TMEM97KCNH2
SCHEMBL4732423 0.87 CETP (0.41) CETPTACR1TMEM97KCNH2
SCHEMBL4728797 0.86 CCR2 (0.38) CETPTACR1
SCHEMBL4729901 0.85 CETP (0.38) CETPTACR1
SCHEMBL4729348 0.84 CETP (0.38) CETPTACR1
SCHEMBL4730989 0.83 CETP (0.38) CETPTACR1
SCHEMBL4728683 0.81 KDM4E (0.40) CETPTACR1KCNH2ALDH1A1
SCHEMBL4728785 0.80 TMEM97 (0.41) CETPTACR1TMEM97KCNH2
SCHEMBL4731680 0.80 CETP (0.43) CETPTACR1

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-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO disclosed