SCHEMBL5501894

SCHEMBL5501894

CCOC(=O)Cc1[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3ccccc3OC)c2c1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAP3K5 Q99683 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 3/20 0.38
PTGES O14684 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 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
SCHEMBL5524203 0.87 MEN1 (0.41) POLBTDP1KDM4EMAPTMEN1
SCHEMBL5506207 0.83 TP53 (0.41) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL5503574 0.82 MEN1 (0.39) POLBTDP1KDM4EMAP3K5MAPT
SCHEMBL5270824 0.82 PTPN1 (0.37) POLBTDP1KDM4EMAPTMEN1
SCHEMBL5509130 0.81 DHFR (0.38) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL5508776 0.81 POLB (0.41) POLBTDP1KDM4EMAPTMEN1
SCHEMBL5267628 0.75 PPARD (0.39) POLBTDP1MAPTMEN1KMT2A
SCHEMBL5503551 0.75 LMNA (0.39) KDM4EMAPTLMNAMAPK1HPGD
SCHEMBL5505105 0.75 ALOX5 (0.43) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5503249 0.74 KDM4E (0.37) POLBKDM4EMAP3K5MAPTMEN1

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