SCHEMBL6533604

SCHEMBL6533604

CCOCCn1cccc1-c1noc(CC(C)C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
NR4A2 P43354 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 2/20 0.33
NPPA P01160 1/20 0.33
MME P08473 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL6325563 0.83 MITF (0.51) KMT2ATSHRALDH1A1MAPK1MAPT
SCHEMBL6533607 0.80 EPHX2 (0.35) TSHREPHX2PPARA
SCHEMBL6533162 0.68 TSHR (0.36) RXRANR4A2KMT2ATSHRALDH1A1
SCHEMBL6333227 0.68 ALDH1A1 (0.54) TSHRALDH1A1MAPK1MAPTMITF
SCHEMBL6472555 0.66 ACACB (0.61) KMT2ATSHRSMN1; SMN2MITFTP53
SCHEMBL6323359 0.65 HPGD (0.43) KMT2AALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL10312550 0.63 HCAR2 (0.51) RXRANR4A2TSHRALDH1A1SMN1; SMN2
SCHEMBL4548475 0.63 HCAR2 (0.64)
SCHEMBL11625598 0.62 NOTUM (0.55) KMT2ATSHRALDH1A1MAPK1MAPT
SCHEMBL27589997 0.62 MCL1 (0.50) TSHRALDH1A1MAPTSMN1; SMN2MITF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed