SCHEMBL7686596

SCHEMBL7686596

C=CC[C](OC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 3/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
SRC P12931 1/20 0.35
NPC1 O15118 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
SCHEMBL2117787 0.74 TSHR (0.48) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL8693299 0.72 AKT1 (0.46) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL7886735 0.72 AKT1 (0.41) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL4064472 0.72 TSHR (0.43) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL3297834 0.72 AKT1 (0.44) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL277919 0.72 AKT1 (0.44) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL5080711 0.72 AKT1 (0.44) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL18585106 0.72 AKT1 (0.44) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL8408014 0.71 CES1 (0.48) TSHRALDH1A1HPGDLMNAKMT2A
SCHEMBL11108347 0.71 AKT1 (0.40) TSHRALDH1A1HPGDLMNAKMT2A

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-1227805-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2002-08-07 EP disclosed
WO-2001026644-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2001-04-19 WO disclosed