SCHEMBL6728526

SCHEMBL6728526

CC(C)(C)c1ccc(COc2c(I)cc(I)cc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
NR4A2 P43354 2/20 0.51
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
APP P05067 1/20 0.49
RXRG P48443 1/20 0.45
SCN9A Q15858 1/20 0.42
NR1H4 Q96RI1 3/20 0.41
XDH P47989 2/20 0.40
EPHX2 P34913 1/20 0.40
MAOB P27338 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SERPINE1 P05121 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
SCHEMBL6725240 0.86 RXRA (0.51) RXRARXRBAPP
SCHEMBL5014148 0.83 RXRA (0.62) RXRARXRBNR4A2RAB9AL3MBTL1
SCHEMBL6724981 0.80 SRD5A2 (0.49) RXRARXRBNR4A2RAB9AL3MBTL1
SCHEMBL6728528 0.78 RXRA (0.39) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL29319558 0.75 RXRA (0.62) RXRARXRBNR4A2RAB9ANR4A1
SCHEMBL6725114 0.72 MRGPRX4 (0.51) NR4A2MAOBMRGPRX4
SCHEMBL6723656 0.72 RXRA (0.64) RXRARXRBNR4A2RAB9AL3MBTL1
SCHEMBL4272450 0.72 RXRA (0.62) RXRARXRBNR4A2RAB9AL3MBTL1
SCHEMBL23060136 0.72 MAOB (0.39) RXRAMAOB
SCHEMBL2452434 0.71 RAB9A (0.59) RXRARXRBNR4A2RAB9AL3MBTL1

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