SCHEMBL4409606

SCHEMBL4409606

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)O)[nH]n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
XBP1 P17861 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR1H4 Q96RI1 4/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL14473143 0.93 MEN1 (0.53) MEN1KMT2AMAPTHPGDHTT
SCHEMBL4551235 0.89 MEN1 (0.50) MEN1KMT2AMAPTHPGDHTT
SCHEMBL4551800 0.85 MEN1 (0.46) MEN1KMT2AMAPTHPGDHTT
SCHEMBL5593295 0.85 NR1H4 (0.47) MEN1KMT2AMAPTHPGDHTT
SCHEMBL4552271 0.84 MEN1 (0.46) MEN1KMT2AMAPTHPGDHTT
SCHEMBL14473322 0.83 MEN1 (0.44) MEN1KMT2AMAPTHPGDHTT
SCHEMBL14473330 0.82 KDM4E (0.47) MEN1KMT2AMAPTHPGDHTT
SCHEMBL4551944 0.81 NR1H4 (0.46) MEN1KMT2AMAPTHTTGAA
SCHEMBL5593328 0.77 RXFP1 (0.43) MEN1KMT2AMAPTHTTTSHR
SCHEMBL5593330 0.77 RXFP1 (0.43) MEN1KMT2AMAPTHTTTSHR

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed