SCHEMBL5299189

SCHEMBL5299189

CC(C)Oc1ccc2cc(-c3c(C(=O)O)[nH]c4ccc(-c5ccc(C(C)(C)C)cc5)cc34)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.52
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 3/20 0.41
MAP2 P11137 2/20 0.39
JAK2 O60674 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MCL1 Q07820 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KIF11 P52732 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL4022950 0.80 ALDH1A1 (0.51) PTGESKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5212831 0.76 ACACB (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5215846 0.76 JAK2 (0.39) PTGESKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL333804 0.76 PTGES (0.42) PTGESMEN1KMT2AJAK2RXRA
Hydrochloric Acid SCHEMBL3007569 0.76 PTGES (0.43) PTGESKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5281847 0.75 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5210645 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL3007123 0.74 PTGES (0.41) PTGESMEN1KMT2AJAK2MCL1
Hydrochloric Acid SCHEMBL3016503 0.74 PTGES (0.41) PTGESMEN1KMT2AJAK2RXRA
SCHEMBL5204577 0.74 PTGES (0.39) PTGESGPR35PTPN5

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
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed