SCHEMBL7105084

SCHEMBL7105084

FC(F)(F)c1cc[c]c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 2/20 0.32
S1PR1 P21453 1/20 0.31
LDHA P00338 1/20 0.31
ACHE P22303 1/20 0.31
CYP11B2 P19099 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
SCHEMBL2392100 0.81 KIF11 (0.36) KIF11ALDH1A1TSHR
SCHEMBL2394087 0.81 FABP4 (0.38) KIF11ALDH1A1TSHRHSD11B1ACHE
SCHEMBL10768905 0.80 KIF11 (0.35) KIF11ALDH1A1TSHRHSD11B1ACHE
SCHEMBL1369135 0.77 KIF11 (0.39) KIF11ALDH1A1TSHRHSD11B1ACHE
SCHEMBL2050625 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8691275 0.74 AR (0.35) KIF11ALDH1A1HSD11B1S1PR1ACHE
SCHEMBL6672493 0.70 FABP4 (0.38) KIF11ALDH1A1TSHRHSD11B1ACHE
SCHEMBL1445741 0.70
SCHEMBL456308 0.70
SCHEMBL526140 0.69 FABP4 (0.37) KIF11ALDH1A1TSHRHSD11B1S1PR1

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-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 WO disclosed