SCHEMBL6723725

SCHEMBL6723725

O=C(OCc1ccccc1I)c1cc(I)c(O)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.53
TYR P14679 1/20 0.46
CYBB P04839 1/20 0.45
PPARG P37231 1/20 0.44
IDO1 P14902 2/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28982407 0.83 PPARG (0.61) PPARGIDO1LMNAMAPTRAB9A
SCHEMBL6725779 0.83 KMT2A (0.64) ESR1LMNANPC1MAPTRAB9A
SCHEMBL27056772 0.82 MAOB (0.50) ESR1LMNAMAPTRAB9AKMT2A
SCHEMBL3294783 0.76 ALDH1A1 (0.55) IDO1LMNAMAPT
SCHEMBL17854061 0.76 ESR1 (0.66) ESR1LMNACA12CA1CA2
SCHEMBL17836970 0.76 ESR1 (0.77) ESR1TYRCA12CA1CA2
SCHEMBL17873233 0.76 ESR1 (0.77) ESR1TYRCA12CA1CA2
SCHEMBL23484286 0.74 ESR1 (0.69) ESR1LMNACA12CA1CA2
SCHEMBL4070163 0.74 LMNA (0.70) ESR1PPARGLMNANPC1MAPT
SCHEMBL4734719 0.74 TYR (0.72) TYRCYBB

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
WO-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed