SCHEMBL13890233

SCHEMBL13890233

C=C(C)C(=O)OC(CCC1CCCC1)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
BCHE P06276 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
KLK7 P49862 2/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CTSK P43235 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
SCHEMBL14265520 0.87 BCHE (0.34) BCHEMETAP2METAP1KLK7CTSL
SCHEMBL9909412 0.87 TSHR (0.32) TSHR
SCHEMBL9888274 0.84 TSHR (0.30) TSHR
SCHEMBL91328 0.84 TSHR (0.33) TSHRALDH1A1
SCHEMBL9888275 0.81 USP2 (0.31) TSHR
SCHEMBL10085537 0.80 TSHR (0.37) TSHRBCHEMETAP2METAP1KLK7
SCHEMBL31435672 0.78 TSHR (0.52) TSHRTDP1ALDH1A1CTSK
SCHEMBL6669934 0.77 TSHR (0.44) TSHRALDH1A1CTSK
SCHEMBL17506168 0.77 TSHR (0.44) TSHRALDH1A1CTSK
SCHEMBL10195947 0.77 TSHR (0.32) TSHR

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
US-20090085256-A1 IMAGE FORMING METHOD AND APPARATUS FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed