SCHEMBL5519196

SCHEMBL5519196

CCOC(=O)Cc1[nH]c2ccc(Oc3cc(Cl)cc(Cl)c3)c(-c3ccc(OC(F)(F)F)cc3)c2c1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.38
ALOX5 P09917 6/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
XBP1 P17861 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL5510025 0.92 LGALS8 (0.38) CSF1RALOX5POLBTP53MDM2
SCHEMBL5510893 0.89 PPARD (0.39) ALOX5POLBALDH1A1MAPTKMT2A
SCHEMBL5506207 0.86 TP53 (0.41) CSF1RALOX5POLBTP53MDM2
SCHEMBL5508776 0.84 POLB (0.41) POLBTP53ALDH1A1CYP1A2HPGD
SCHEMBL5501345 0.84 POLB (0.42) ALOX5POLBTP53MDM2ALDH1A1
SCHEMBL5503551 0.83 LMNA (0.39) HPGDMAPTLMNA
SCHEMBL5508283 0.82 TP53 (0.42) CSF1RALOX5POLBTP53MDM2
SCHEMBL5506461 0.82 ALOX5 (0.40) CSF1RALOX5POLBTP53MDM2
SCHEMBL5503574 0.81 MEN1 (0.39) ALOX5POLBTP53MDM2ALDH1A1
SCHEMBL5511414 0.81 TP53 (0.41) CSF1RALOX5TP53MDM2XBP1

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed