SCHEMBL7075255

SCHEMBL7075255

OP(=S)(OCc1ccccc1)OCc1ccccc1.OP(O)(=S)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SRC P12931 1/20 0.40
CETP P11597 3/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FOLH1 Q04609 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
ALPG P10696 1/20 0.33
PTK2B Q14289 1/20 0.33
IDO1 P14902 1/20 0.32
KDM1A O60341 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 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
SCHEMBL1491990 0.82 TSHR (0.63) TSHRSRCCETPCA12CA1
SCHEMBL27780073 0.80 TSHR (0.61) TSHRSRCCETPCA12CA1
SCHEMBL8412635 0.78 TSHR (0.66) TSHRSRCCETPFOLH1PDPK1
SCHEMBL7079628 0.77 SRC (0.44) SRCCA12CA1CA2KDM4E
SCHEMBL3067248 0.75 TSHR (0.55) TSHRSRCCETPCA12CA1
SCHEMBL3077577 0.75 TSHR (0.59) TSHRSRCCETPCA12CA1
SCHEMBL8412292 0.74 TSHR (0.50) TSHRSRCCETPKMT2ANR4A1
SCHEMBL3068400 0.74 TSHR (0.63) TSHRSRCCETPCA12CA1
SCHEMBL3062985 0.74
SCHEMBL1604320 0.74 TSHR (0.53) TSHRSRCCETPCA12CA1

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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed