SCHEMBL27752247

SCHEMBL27752247

CC(=O)OCCc1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
LOX P28300 1/20 0.46
LOXL3 P58215 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
FFAR1 O14842 1/20 0.39
EPHX1 P07099 1/20 0.38
SMARCA2 P51531 2/20 0.37
SMARCA4 P51532 2/20 0.37
GRM5 P41594 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
YWHAG P61981 1/20 0.36
APP P05067 1/20 0.36
HTT P42858 1/20 0.36
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RAD52 P43351 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
SCHEMBL28797497 0.84 RECQL (0.50) RECQLLOXLOXL3LOXL2FFAR1
SCHEMBL8767883 0.84 RECQL (0.53) RECQLLOXLOXL3LOXL2FFAR1
SCHEMBL21200364 0.81 RAD52 (0.38) YWHAGAPPHTTALDH1A1TNKS2
SCHEMBL28797498 0.81 RECQL (0.46) RECQLLOXLOXL3LOXL2FFAR1
SCHEMBL15903067 0.78 LOX (0.53) RECQLLOXLOXL3LOXL2FFAR1
SCHEMBL9519051 0.78 MYC (0.40) YWHAGAPPALDH1A1NR3C2PDE3B
SCHEMBL9518676 0.76 CYP19A1 (0.46) LOXL2HTTALDH1A1RAD52
SCHEMBL20943263 0.76 ALDH1A1 (0.54) FFAR1ALDH1A1
SCHEMBL29749412 0.76 TSHR (0.50) FFAR1ALDH1A1
SCHEMBL15265789 0.75 RECQL (0.46) RECQLLOXLOXL3LOXL2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374841-A Spiroimidazole Derivatives as PPAR Modulators IRM LLC (BM) 2009-02-25 CN disclosed