SCHEMBL23720535

SCHEMBL23720535

OCCOCCOCCOCCOCCCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NAAA Q02083 1/20 0.49
GBA1 P04062 2/20 0.46
UGCG Q16739 2/20 0.46
GBA2 Q9HCG7 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
EPHX2 P34913 3/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL21405274 1.00 TSHR (0.52) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL17162054 1.00 TSHR (0.52) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL31110247 0.98 L3MBTL1 (0.51) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL24674901 0.98 L3MBTL1 (0.51) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL13909724 0.98 TSHR (0.54) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL16346320 0.96 TSHR (0.52) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL2568514 0.96 L3MBTL1 (0.53) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL17162099 0.96 TSHR (0.52) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL20120627 0.96 L3MBTL1 (0.53) TSHRL3MBTL1TDP1NAAAGBA1
SCHEMBL30380314 0.96 TSHR (0.52) TSHRL3MBTL1TDP1NAAAGBA1

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
WO-2021155006-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2021-08-05 WO disclosed