SCHEMBL7003204

SCHEMBL7003204

COc1cccc(C2C[C@H]2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.67
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
FFAR1 O14842 5/20 0.49
GPR88 Q9GZN0 1/20 0.48
DGAT2 Q96PD7 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
ITK Q08881 1/20 0.46
GRIN2B Q13224 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL24737951 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL10288769 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL7003208 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL21501023 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL1207144 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL8357586 0.88 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BGPR88
SCHEMBL30997748 0.86 SLC9A1 (0.73) SLC9A1HTR2AHTR2CHTR2BGPR88
SCHEMBL7006240 0.84 FFAR1 (0.62) SLC9A1FFAR1
SCHEMBL9385280 0.84 FFAR1 (0.62) SLC9A1FFAR1
SCHEMBL6326088 0.84 SLC9A1 (0.62) SLC9A1HTR2AHTR2CHTR2BFFAR1

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
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed