SCHEMBL5503249

SCHEMBL5503249

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAP3K5 Q99683 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
PTGER2 P43116 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CSF1R P07333 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL5503574 0.90 MEN1 (0.39) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5505105 0.88 ALOX5 (0.43) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL5508283 0.83 TP53 (0.42) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL5508776 0.83 POLB (0.41) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL5270824 0.82 PTPN1 (0.37) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL5524203 0.82 MEN1 (0.41) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL5506207 0.82 TP53 (0.41) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5515208 0.82 MAPT (0.38) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5510893 0.81 PPARD (0.39) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL5506461 0.81 ALOX5 (0.40) MAPTSMN1; SMN2MEN1KMT2AMAP3K5

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