SCHEMBL6725083

SCHEMBL6725083

O=C(COC(=O)c1cc(I)c(O)c(I)c1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.49
NSD2 O96028 1/20 0.49
TYR P14679 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SERPINE1 P05121 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6728507 0.80 MEN1 (0.49) NSD2ALDH1A1L3MBTL1MEN1HPGD
SCHEMBL6820149 0.80 MEN1 (0.43) NSD2ALDH1A1MEN1HPGDKMT2A
SCHEMBL6725779 0.76 KMT2A (0.64) ESR1SMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL28238266 0.73 ELANE (0.51) SMN1; SMN2ALDH1A1L3MBTL1MEN1HPGD
SCHEMBL28547817 0.73 KMT2A (0.49) ESR1SMN1; SMN2ALDH1A1ESR2L3MBTL1
SCHEMBL2907355 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1MEN1HPGD
SCHEMBL17854061 0.72 ESR1 (0.66) ESR1SERPINE1L3MBTL1
SCHEMBL17836970 0.72 ESR1 (0.77) ESR1TYRSERPINE1ALDH1A1L3MBTL1
SCHEMBL17873233 0.72 ESR1 (0.77) ESR1TYRSERPINE1ALDH1A1L3MBTL1
SCHEMBL6723785 0.72 MAOB (0.54) SMN1; SMN2HPGDKMT2A

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