SCHEMBL8302722

SCHEMBL8302722

CCOP(=O)(CC(=O)OOCCOC)OCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PPARD Q03181 1/20 0.38
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29280742 0.85 TSHR (0.44) TSHRPPARDCA12CA1CA2
SCHEMBL15438595 0.81 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL337596 0.81 TSHR (0.48) TSHRPPARDCA12CA1CA2
SCHEMBL28862969 0.79 TSHR (0.46) TSHRPPARDCA12CA1CA2
SCHEMBL11565404 0.76 TSHR (0.40) TSHRPPARDCA12CA1CA2
SCHEMBL15439167 0.75 TSHR (0.39) TSHRPPARDCA12CA1CA2
SCHEMBL6669420 0.75 TSHR (0.46) TSHRPPARDCA12CA1CA2
SCHEMBL2236600 0.73 TSHR (0.44) TSHRPPARDCA12CA1CA2
SCHEMBL17937991 0.73 TSHR (0.40) TSHRPPARDCA12CA1CA2
SCHEMBL1331297 0.72 TSHR (0.48) TSHRPPARDTP53TDP1

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-0912511-A1 5-INDOLYL-2,4-PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION Smithkline Beecham S.p.A. (IT) 1999-05-06 EP disclosed
WO-1998001423-A1 5-INDOLYL-2,4-PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION SMITHKLINE BEECHAM S.P.A. (IT) 1998-01-15 WO disclosed