SCHEMBL6723744

SCHEMBL6723744

O=C(CCc1cc(I)c(OCc2cccc(I)c2)c(I)c1)OCc1cccc(I)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.43
THRB P10828 8/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
FFAR1 O14842 1/20 0.42
IDO1 P14902 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PCNA P12004 2/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL7042106 0.88 FFAR1 (0.54) THRATHRBESR1NR3C1PGR
SCHEMBL4271148 0.87 THRA (0.57) THRATHRBESR1NR3C1PGR
SCHEMBL4276277 0.79 THRA (0.47) THRATHRBESR1NR3C1PGR
SCHEMBL4265967 0.77 F2 (0.49) IDO1F2
SCHEMBL4931492 0.77 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL24991401 0.75 IDO1 (0.47) IDO1TDP1
SCHEMBL4269700 0.75 FFAR1 (0.70) THRATHRBESR1NR3C1PGR
SCHEMBL4898421 0.74 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4272376 0.74 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL6721162 0.74 F2 (0.46) THRATHRBPGRIDO1F2

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 3 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
US-6638977-B1 Biaryl and benzyl ethers and thioethers CORVAS INTERNATIONAL, INC. 2003-10-28 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed