SCHEMBL6720844

SCHEMBL6720844

O=C(O)c1cc(I)c(OCC2CCCCC2)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
PARP10 Q53GL7 5/20 0.46
PARP15 Q460N3 4/20 0.46
XDH P47989 2/20 0.44
RHEB Q15382 1/20 0.44
TPMT P51580 2/20 0.43
MAP4K4 O95819 1/20 0.41
PTGS1 P23219 1/20 0.41
PARP2 Q9UGN5 1/20 0.40
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38

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
SCHEMBL7045585 0.85 TPMT (0.41) THRATHRBXDHTPMT
SCHEMBL7045808 0.79 RAB9A (0.46)
SCHEMBL8811665 0.79 THRA (0.42) THRATHRBPARP10PARP15RHEB
SCHEMBL1532862 0.73 PARP10 (0.74) PARP10PARP15MAP4K4PARP2CCNA2
SCHEMBL1532841 0.73 PARP10 (0.74) PARP10PARP15MAP4K4PARP2CCNA2
SCHEMBL12420700 0.73 PARP10 (0.74) PARP10PARP15MAP4K4PARP2CCNA2
SCHEMBL15968953 0.73 FFAR4 (0.48) THRATHRBPARP10PARP15PARP2
SCHEMBL31325672 0.73 NR1H4 (0.48) PARP10PARP15XDHMAP4K4PARP2
SCHEMBL28314163 0.72 TPMT (0.49) THRATHRBTPMT
SCHEMBL26828022 0.72 TPMT (0.52) THRATHRBTPMT

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