SCHEMBL5270207

SCHEMBL5270207

CCOC(=O)c1[nH]c2ccc(Sc3ccc(Cl)cc3)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
XBP1 P17861 1/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
RAB9A P51151 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38

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
SCHEMBL4780471 0.84 MAPT (0.45) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL5272473 0.84 MAPT (0.46) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL4776998 0.82 MAPT (0.45) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL5269908 0.81 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL5573980 0.76 MAPT (0.40) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL5266914 0.76 MAPT (0.41) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL4777292 0.75 MAPT (0.43) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL4839135 0.75 MAPT (0.39) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL5571402 0.74 KDM4E (0.43) CYP1A2CYP2C19ALDH1A1HPGDXBP1
SCHEMBL5570201 0.74 MAPT (0.46) CYP1A2CYP2C19ALDH1A1HPGDXBP1

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-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed