SCHEMBL5506461

SCHEMBL5506461

CCOC(=O)Cc1[nH]c2ccc(Oc3cccc(Cl)c3)c(-c3ccc(OC(C)C)cc3)c2c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.40
CSF1R P07333 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL5515208 0.91 MAPT (0.38) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL5516043 0.87 POLB (0.43) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL5517754 0.84 POLB (0.36) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL5270824 0.84 PTPN1 (0.37) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL5573968 0.83 HPGD (0.43) ALOX5CSF1RCYP1A2CYP2C19CYP2C9
SCHEMBL5508283 0.83 TP53 (0.42) ALOX5CSF1RCYP1A2CYP2C19CYP2C9
SCHEMBL5519196 0.82 CSF1R (0.38) ALOX5CSF1RCYP1A2CYP2C19ALDH1A1
SCHEMBL5505105 0.82 ALOX5 (0.43) ALOX5CSF1RCYP1A2CYP2C19CYP2C9
SCHEMBL5503249 0.81 KDM4E (0.37) CSF1RCYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL5266671 0.81 POLB (0.41) ALOX5CYP1A2ALDH1A1HPGDMEN1

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