SCHEMBL6724871

SCHEMBL6724871

O=C(O)COc1c(I)cc(C(=O)c2cc(I)c(OCC(=O)O)c(I)c2)cc1I

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.57
THRB P10828 4/20 0.57
KMT2A Q03164 1/20 0.43
CD69 Q07108 5/20 0.42
ELANE P08246 1/20 0.40
TPMT P51580 2/20 0.40
ALOX15 P16050 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.37
BPTF Q12830 1/20 0.37

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
SCHEMBL6725180 0.93 THRB (0.55) THRATHRBKMT2ACD69ELANE
SCHEMBL6728497 0.92 THRA (0.61) THRATHRBKMT2ACD69ALOX15
SCHEMBL14040248 0.84 THRA (0.46) THRATHRBKMT2ACD69ELANE
SCHEMBL6720881 0.82 THRB (0.49) THRATHRBKMT2ACD69ELANE
SCHEMBL22359890 0.81 THRA (0.50) THRATHRBKMT2ACD69ELANE
SCHEMBL11426652 0.81 THRA (0.51) THRATHRBKMT2ACD69KDM4E
SCHEMBL31619991 0.78 GAA (0.44) THRATHRBKMT2ATPMTBPTF
SCHEMBL8729041 0.77 THRA (0.61) THRATHRBKMT2AALOX15
SCHEMBL5276461 0.77 TSHR (0.49) THRATHRBCD69ELANE
SCHEMBL2113590 0.77 PTGDR2 (0.46) THRATHRBKMT2ACD69ELANE

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-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed