SCHEMBL381386

SCHEMBL381386

CC(C)(C)[C]c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.37
HSD11B1 P28845 2/20 0.37
AR P10275 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL6346979 0.84 ALDH1A1 (0.44) SLC22A12ALDH1A1TDP1HSD11B1TSHR
SCHEMBL6689411 0.81 ALDH1A1 (0.40) SLC22A12ALDH1A1TDP1POLBL3MBTL1
SCHEMBL13918951 0.81 FFAR1 (0.41) SLC22A12ALDH1A1TDP1POLBL3MBTL1
SCHEMBL313726 0.76 ALDH1A1 (0.40) SLC22A12ALDH1A1TDP1POLBL3MBTL1
SCHEMBL5250349 0.76 FFAR1 (0.43) SLC22A12ALDH1A1TDP1POLBL3MBTL1
SCHEMBL1861089 0.74 ALDH1A1 (0.39) SLC22A12ALDH1A1TDP1POLBL3MBTL1
SCHEMBL96903 0.74 FFAR1 (0.41) SLC22A12ALDH1A1TDP1POLBL3MBTL1
SCHEMBL30794742 0.74 AR (0.59) SLC22A12AR
SCHEMBL103847 0.74 AR (0.59) SLC22A12AR
SCHEMBL8479886 0.74 ALDH1A1 (0.39) SLC22A12ALDH1A1TDP1POLBL3MBTL1

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
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed