SCHEMBL6723918

SCHEMBL6723918

O=C(COc1c(I)cc(C(=O)c2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2)cc1I)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 6/20 0.43
KDM5A P29375 1/20 0.41
SRD5A2 P31213 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 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
SCHEMBL6731605 0.97 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL6723591 0.95 THRA (0.46) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL6721180 0.87 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL7754025 0.85 FFAR1 (0.37) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL22991665 0.83 CDC25B (0.46) ALDH1A1MAPK1L3MBTL1LMNAKDM4E
SCHEMBL6725854 0.80 LMNA (0.42) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL6728497 0.78 THRA (0.61) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL4269670 0.76 MEN1 (0.63) THRATHRBLMNAKMT2ASRD5A2
SCHEMBL6720862 0.76 KMT2A (0.45) ALDH1A1MAPK1L3MBTL1THRATHRB
SCHEMBL6728507 0.76 MEN1 (0.49) ALDH1A1L3MBTL1THRATHRBLMNA

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