SCHEMBL16348341

SCHEMBL16348341

CCOC(=O)C(Oc1ccc(Br)cc1-c1ccn(CC)n1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.39
PTGER1 P34995 2/20 0.38
SLC6A4 P31645 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 3/20 0.37
APP P05067 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGFR P43088 1/20 0.35
ELANE P08246 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PNMT P11086 1/20 0.35
NPY5R Q15761 1/20 0.35
XPO1 O14980 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL16348427 0.91 PPARG (0.39) PTGER1SLC6A4HTR2CHTR2BHTR6
SCHEMBL16348326 0.90 PPARG (0.41) JMJD6SLC6A4HTR2CHTR2BHTR6
SCHEMBL16348368 0.83 PPARG (0.38) SLC6A4HTR2CHTR2BHTR6MAPT
SCHEMBL16348367 0.83 JMJD6 (0.39) JMJD6MAPTADORA1SMN1; SMN2ELANE
SCHEMBL16348380 0.83 JMJD6 (0.40) JMJD6PTGER1MAPTSMN1; SMN2CYP2C9
SCHEMBL16348352 0.81 PPARG (0.48) SLC6A4HTR2CHTR2BHTR6PPARG
SCHEMBL16348342 0.80 NPC1 (0.41) JMJD6MAPTADORA1SMN1; SMN2ELANE
SCHEMBL16348424 0.79 PPARA (0.40) JMJD6PTGER1PPARG
SCHEMBL13523099 0.79 PTGFR (0.41) PTGER1SLC6A4HTR2CHTR2BHTR6
SCHEMBL13523061 0.77 PTGFR (0.41) PTGER1SLC6A4HTR2CHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed