SCHEMBL12374676

SCHEMBL12374676

C=Cc1cccc(C=C(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
PTGS2 P35354 1/20 0.39
TRPA1 O75762 1/20 0.33
SLC9A1 P19634 1/20 0.33
SLC9A3 P48764 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
PTGS1 P23219 2/20 0.33
FBP1 P09467 1/20 0.33
POLB P06746 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
NFE2L2 Q16236 1/20 0.32
FURIN P09958 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL16590761 0.89 NFE2L2 (0.39) PTGS2SLC9A1SLC9A3SLC9A2PTGS1
SCHEMBL21881 0.81 TDP1 (0.67) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL5854212 0.80 TP53 (0.56) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL2283814 0.78 UNG (0.48) ALDH1A1PTGS2SLC9A1SLC9A3SLC9A2
Ammonia Solution, Strong SCHEMBL31335086 0.78 TDP1 (0.64) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL30381592 0.78 TDP1 (0.64) TP53TDP1ALDH1A1TSHRPTGS2
Water SCHEMBL20239051 0.78 TDP1 (0.64) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL19056944 0.77 TRIM24 (0.40) PTGS1FBP1HDAC8NFE2L2MEN1
SCHEMBL12014958 0.77 ALDH1A1 (0.58) TP53TDP1ALDH1A1TSHRTRPA1
Hydrochloric Acid SCHEMBL29128956 0.76 TDP1 (0.61) TP53TDP1ALDH1A1TSHRPTGS2

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
US-9017907-B2 Flexible imaging members having externally plasticized imaging layer(s) XEROX CORPORATION (US) 2015-04-28 US disclosed
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed