SCHEMBL16504154

SCHEMBL16504154

CCC(C)(C)Oc1ccc(C(c2ccc(OC(=O)C(F)(F)c3cccc(C(F)(F)C(=O)C(C)(C)CC)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL16504170 0.93 ESR1 (0.36) ELANEPPARGPPARDPPARANPC1
SCHEMBL13199224 0.86 ELANE (0.39) ELANENPC1POLBCYP2C9RAB9A
SCHEMBL13199223 0.84 NPC1 (0.31) ELANENPC1POLBCYP2C9RAB9A
SCHEMBL14701784 0.83 ELANE (0.42) ELANEPPARDPPARA
SCHEMBL16504159 0.82 PDE2A (0.33) ELANENPC1RAB9A
SCHEMBL13199355 0.81 ELANE (0.33) ELANEPPARGPPARDPPARA
SCHEMBL16504161 0.79 PTPN5 (0.38) ELANENPC1POLBRAB9A
SCHEMBL15241694 0.79 ELANE (0.37) ELANEPPARDPPARA
SCHEMBL16504152 0.78 ELANE (0.45) ELANE
SCHEMBL15957712 0.74 MAOB (0.39) POLB

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
EP-2395040-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM Central Glass Company, Limited (JP) 2011-12-14 EP disclosed