SCHEMBL673401

SCHEMBL673401

CC1Cc2cccc(C(=O)O)c2OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
PKM P14618 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.34
MYC P01106 1/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11140420 0.76 CREBBP (0.39) PARP1ALDH1A1L3MBTL1
SCHEMBL783714 0.75 LMNA (0.59) PKMLMNANPSR1TSHRALDH1A1
SCHEMBL4829723 0.75 PARP1 (0.74) PARP1
SCHEMBL672668 0.73 LMNA (0.44) PARP1PKMLMNANPSR1TSHR
SCHEMBL2548565 0.73 LMNA (0.44) PARP1PKMLMNANPSR1TSHR
SCHEMBL15625037 0.73 PKM (0.39) PARP1PKMLMNANPSR1TSHR
SCHEMBL15129966 0.71 PARP1 (0.37) PARP1PKMLMNANPSR1TSHR
SCHEMBL23642797 0.71 PARP1 (0.44) PARP1LMNAALDH1A1KDM4EMAPT
SCHEMBL21113820 0.71 PARP1 (0.44) PARP1LMNAALDH1A1KDM4EMAPT
SCHEMBL21113893 0.71 PARP1 (0.44) PARP1LMNAALDH1A1KDM4EMAPT

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed