SCHEMBL714452

SCHEMBL714452

C=COC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
NFKB1 P19838 1/20 0.41
CNR2 P34972 1/20 0.41
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL246897 0.83 TDP1 (0.40) LMNAGAATDP1CYP3A4
SCHEMBL15175 0.81 CYP3A4 (0.55) LMNATDP1L3MBTL1CYP3A4
SCHEMBL17848764 0.80 LMNA (0.55) LMNAGAACTNNB1WNT3ANFKB1
SCHEMBL30096834 0.80 LMNA (0.55) LMNAGAACTNNB1WNT3ANFKB1
SCHEMBL513905 0.80 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL10519876 0.80 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL1405144 0.80 LMNA (0.58) LMNAGAACTNNB1WNT3ANFKB1
Ethylene SCHEMBL29113890 0.79 CYP3A4 (0.53) LMNATDP1L3MBTL1CYP3A4
Vinyl Ether SCHEMBL23088820 0.79 TDP1 (0.37) LMNAGAATDP1CYP3A4
SCHEMBL1899482 0.79 CYP3A4 (0.37) LMNAMAOBTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120235148-A1 PHOTO-CROSSLINKABLE MATERIAL FOR ORGANIC THIN FILM TRANSISTOR INSULATING LAYER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 US disclosed
EP-2479791-A1 PHOTO-CROSSLINKABLE MATERIAL FOR ORGANIC THIN FILM TRANSISTOR INSULATING LAYER Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120053287-A1 RESIN COMPOSITION FOR INSULATING LAYER SUMITOMO CHEMICAL COMPANY, LTD (JP) 2012-03-01 US disclosed