SCHEMBL5573980

SCHEMBL5573980

CCOC(=O)c1[nH]c2ccc(Oc3ccc(OC(F)(F)F)cc3)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
KMT2A Q03164 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
SCHEMBL5266914 0.92 MAPT (0.41) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5342565 0.86 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2MEN1
SCHEMBL4777292 0.86 MAPT (0.43) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4839135 0.84 MAPT (0.39) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5272473 0.83 MAPT (0.46) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5271428 0.82 MAPT (0.41) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5269571 0.82 PTGER4 (0.39) PPARDCYP2C9
SCHEMBL4776998 0.81 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4780471 0.81 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5269374 0.81 FFAR4 (0.36)

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed