SCHEMBL5506207

SCHEMBL5506207

CCOC(=O)Cc1[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc(Cl)cc3)c2c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
ALOX5 P09917 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
XBP1 P17861 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
CSF1R P07333 1/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
FPR1 P21462 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.35
PRKCZ Q05513 1/20 0.35

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
SCHEMBL5510893 0.92 PPARD (0.39) ALOX5KMT2AMAPTMEN1POLB
SCHEMBL5503574 0.92 MEN1 (0.39) TP53MDM2ALOX5KMT2AMAPT
SCHEMBL5270824 0.90 PTPN1 (0.37) ALOX5KMT2AMAPTMEN1POLB
SCHEMBL5509130 0.89 DHFR (0.38) ALOX5KMT2AMAPTMEN1POLB
SCHEMBL5508283 0.88 TP53 (0.42) TP53MDM2ALOX5KMT2AMAPT
SCHEMBL5524203 0.86 MEN1 (0.41) TP53ALOX5KMT2AMAPTMEN1
SCHEMBL5511414 0.86 TP53 (0.41) TP53MDM2ALOX5KMT2AMAPT
SCHEMBL5519196 0.86 CSF1R (0.38) TP53MDM2ALOX5KMT2AMAPT
SCHEMBL5508776 0.85 POLB (0.41) TP53KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5510025 0.83 LGALS8 (0.38) TP53MDM2ALOX5KMT2AMAPT

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