SCHEMBL5509130

SCHEMBL5509130

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
PTPN1 P18031 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SCN9A Q15858 2/20 0.32
MLYCD O95822 1/20 0.32
GAA P10253 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
SCHEMBL5510893 0.90 PPARD (0.39) MAPTALOX5ALDH1A1MEN1KMT2A
SCHEMBL5506207 0.89 TP53 (0.41) MAPTLMNAALOX5ALDH1A1MEN1
SCHEMBL5511414 0.89 TP53 (0.41) MAPTLMNAALOX5ALDH1A1MEN1
SCHEMBL5270824 0.88 PTPN1 (0.37) MAPTALOX5ALDH1A1MEN1KMT2A
SCHEMBL5503574 0.88 MEN1 (0.39) MAPTALOX5ALDH1A1MEN1KMT2A
SCHEMBL5524203 0.84 MEN1 (0.41) MAPTLMNAALOX5ALDH1A1MEN1
SCHEMBL5508776 0.83 POLB (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5267628 0.81 PPARD (0.39) MAPTALOX5ALDH1A1MEN1KMT2A
SCHEMBL5501894 0.81 POLB (0.39) MAPTLMNAALOX5ALDH1A1MEN1
SCHEMBL5503551 0.81 LMNA (0.39) MAPTLMNAKDM4ESCN9A

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