SCHEMBL9010259

SCHEMBL9010259

Nc1cc[c]c(C(=O)C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
ACHE P22303 2/20 0.32
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGS1 P23219 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL27914228 0.78 MAPT (0.34) TSHRPOLBGAAMAPK1
SCHEMBL3045441 0.76 KDM4E (0.41) GLAPOLBGAA
SCHEMBL6170690 0.75 ALDH1A1 (0.36) TSHRPOLBGAA
SCHEMBL608509 0.71 CES1 (0.48) CES1ACHEMAPK1HDAC6
SCHEMBL11085145 0.70 GAA (0.47) TSHRGLAGAAMAPK1
SCHEMBL5501573 0.70 MEN1 (0.38) GLAPOLBGAAMAPK1
SCHEMBL17054121 0.70 NR1H2 (0.37) GLAGAA
SCHEMBL5139894 0.69 PBRM1 (0.55) TSHRGLAPOLBGAAMAPK1
SCHEMBL14862236 0.66 SMYD3 (0.47) GAA
SCHEMBL14862218 0.66 HDAC2 (0.43) TSHRGAAHDAC6

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-0741319-A1 Photothermographic photosensitive recording material with reduced fog DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1996-11-06 EP disclosed