SCHEMBL715321

SCHEMBL715321

C=COC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
SRD5A2 P31213 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TGM2 P21980 1/20 0.46
GSK3B P49841 2/20 0.46
PTPN1 P18031 2/20 0.46
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CYP1A1 P04798 4/20 0.42
CYP1B1 Q16678 4/20 0.42
MAOB P27338 2/20 0.42
CYP1A2 P05177 1/20 0.42
P4HB P07237 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL295796 0.84 ALDH1A1 (0.40) MEN1TSHRKMT2A
SCHEMBL22734812 0.83 CES2 (0.55) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL28944014 0.82 ALDH1A1 (0.39) MEN1TSHRKMT2A
SCHEMBL109622 0.81 MAPT (0.49) SRD5A2PRSS1ACRTRPV1CYP1A2
SCHEMBL715874 0.80 CES2 (0.59) CES2SRD5A2MAOBMEN1HPGD
SCHEMBL6968021 0.79 CES2 (0.59) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL2835113 0.79 CES2 (0.48) CES2CES1TGM2PTPN1TRPV1
SCHEMBL23404254 0.78 CES2 (0.64) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL19506902 0.78 PDCD1 (0.41) PTPN1
SCHEMBL779219 0.78 CES2 (0.64) CES2CES1SRD5A2NR4A1NR4A2

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