SCHEMBL5204577

SCHEMBL5204577

CC(C)Oc1ccc(-c2c(C(=O)Oc3ccc(C(F)(F)F)cn3)[nH]c3ccc(-c4ccc(C(C)(C)C)cc4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
BRD4 O60885 1/20 0.38
GABRA1 P14867 5/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA5 P31644 5/20 0.38
GABRA3 P34903 5/20 0.38
GABRA2 P47869 5/20 0.38
GABRA6 Q16445 5/20 0.38
GABRA4 P48169 3/20 0.38
GPR35 Q9HC97 1/20 0.37
LMNA P02545 1/20 0.37
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
PTPN5 P54829 2/20 0.35
SCN9A Q15858 3/20 0.35
FPR2 P25090 1/20 0.35
LIPE Q05469 2/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL5343866 0.81 GPR35 (0.48) BRD4GPR35LMNAACACBACACA
SCHEMBL5268234 0.81 BRD4 (0.44) BRD4LMNAACACBACACASCN9A
SCHEMBL4022950 0.80 ALDH1A1 (0.51) PTGESLMNA
SCHEMBL4022882 0.77 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5270466 0.76 GPR35 (0.48) BRD4GPR35LMNAACACBACACA
Hydrochloric Acid SCHEMBL5267420 0.75 SCN9A (0.51) BRD4SCN9A
SCHEMBL5266287 0.75 SCN9A (0.45) BRD4SCN9A
SCHEMBL5212831 0.74 ACACB (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5210645 0.74 KDM4E (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5212633 0.74 ALDH1A1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3

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-1765775-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-03-28 EP disclosed
WO-2005123675-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed