SCHEMBL6728528

SCHEMBL6728528

CC(C)(C)c1ccccc1COc1c(I)cc(I)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
RBP4 P02753 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 3/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
MAOA P21397 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
FOLH1 Q04609 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL6728526 0.78 RXRA (0.51) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL6725240 0.73 RXRA (0.51) RXRARXRBFOLH1FFAR1
SCHEMBL6724981 0.72 SRD5A2 (0.49) RXRARXRBALDH1A1HTTFOLH1
SCHEMBL6726446 0.71 MAOB (0.52) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL13965424 0.71 MAOB (0.39) RXRARXRBRXRGRBP4MAOB
SCHEMBL23060136 0.70 MAOB (0.39) RXRAALDH1A1MAOBKDM4E
SCHEMBL6725114 0.68 MRGPRX4 (0.51) MAOBMRGPRX4FFAR4
SCHEMBL1787510 0.68 RXRA (0.44) RXRARXRBRXRGRBP4ALDH1A1
SCHEMBL10370336 0.67 TPMT (0.51) ALDH1A1HTTMAOBKDM4E
SCHEMBL12894330 0.67 MAOB (0.49) RXRARXRBRXRGMAOBMAOA

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