SCHEMBL5503574

SCHEMBL5503574

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
PTPN1 P18031 1/20 0.39
FFAR1 O14842 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAP3K5 Q99683 1/20 0.33
NPBWR1 P48145 1/20 0.33
PPARD Q03181 1/20 0.33
MLYCD O95822 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL5270824 0.92 PTPN1 (0.37) MEN1KMT2APOLBPTPN1MAPT
SCHEMBL5506207 0.92 TP53 (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL5510893 0.91 PPARD (0.39) MEN1KMT2APOLBPTPN1MAPT
SCHEMBL5503249 0.90 KDM4E (0.37) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL5508283 0.90 TP53 (0.42) MEN1KMT2APOLBPTPN1MAPT
SCHEMBL5509130 0.88 DHFR (0.38) MEN1KMT2APOLBPTPN1MAPT
SCHEMBL5524203 0.85 MEN1 (0.41) MEN1KMT2APOLBFFAR1MAPT
SCHEMBL5267628 0.85 PPARD (0.39) MEN1KMT2APOLBPTPN1FFAR1
SCHEMBL5517754 0.84 POLB (0.36) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL5508776 0.84 POLB (0.41) MEN1KMT2APOLBMAPTALDH1A1

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