SCHEMBL5261908

SCHEMBL5261908

C=CCc1cccc2c1OCC(=O)N2CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.43
ALOX12 P18054 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTR6 P50406 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
CBX7 O95931 2/20 0.37
CDYL2 Q8N8U2 2/20 0.37
CDYL Q9Y232 2/20 0.37
CDY1; CDY1B Q9Y6F8 2/20 0.37

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
SCHEMBL428855 0.89 ALOX12 (0.39) TSHRHTTALDH1A1ALOX12KMT2A
SCHEMBL5260069 0.89 TSHR (0.46) TSHRHTTALDH1A1ALOX12KMT2A
SCHEMBL430467 0.78 HTR1A (0.40) HTTALDH1A1ALOX12KMT2AMEN1
SCHEMBL430198 0.75 HTR1A (0.38) HTTALDH1A1ALOX12KMT2AMEN1
SCHEMBL4971237 0.75 TSHR (0.50) TSHRHTTALDH1A1ALOX12KMT2A
SCHEMBL30808661 0.72 KMT2A (0.68) TSHRHTTALDH1A1ALOX12KMT2A
SCHEMBL4970176 0.72 KMT2A (0.68) TSHRHTTALDH1A1ALOX12KMT2A
SCHEMBL427787 0.70 HTR1A (0.46) ALDH1A1LMNAHTR1AHTR1DHTR1B
SCHEMBL428166 0.69 TP53 (0.44) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL430548 0.68 THRB (0.38) KMT2AMEN1HTR1AHTR1DHTR1B

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-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed