SCHEMBL5511370

SCHEMBL5511370

COC(=O)c1ccc(-c2[nH]c3ccc(Oc4ccc(Cl)c(Cl)c4)c(-c4ccc(OC(C)C)cc4)c3c2C(=O)OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.40
JAK2 O60674 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SLC6A4 P31645 4/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
CHEK2 O96017 4/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 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
SCHEMBL5518524 0.81 KMT2A (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5513955 0.77 PTGER4 (0.45) CHEK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5502135 0.77 KMT2A (0.45) CHEK2KMT2A
SCHEMBL5509080 0.72 PTPN5 (0.37) MAPT
SCHEMBL334104 0.70 MDM2 (0.42) RHEBJAK2LGALS8LGALS3MAPT
SCHEMBL3748314 0.69 EGFR (0.48) RHEBMAPTMEN1KMT2A
SCHEMBL5273163 0.68 PRKAB2 (0.36) RHEBJAK2
SCHEMBL5269262 0.68 JAK2 (0.51) JAK2CHEK2MAPTMEN1KMT2A
SCHEMBL5505257 0.68 ALDH1A1 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22507148 0.67 ACACB (0.58) MAPTMEN1KMT2A

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