SCHEMBL4613477

SCHEMBL4613477

[C]1COOc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.32
OXTR P30559 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL241643 0.78 OXTR (0.42) MAOAMAOBTSHROXTRABCG2
SCHEMBL29386319 0.70
SCHEMBL6093132 0.70
SCHEMBL8710 0.70
SCHEMBL730025 0.70
SCHEMBL5065 0.70 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL3682309 0.69 MAOA (0.42) MAOAMAOBTSHROXTRABCG2
Hydrochloric Acid SCHEMBL6762162 0.69 MAOA (0.42) MAOAMAOBTSHROXTRABCG2
Methane SCHEMBL10528050 0.69 MAOA (0.42) MAOAMAOBTSHROXTRABCG2
Ammonia Solution, Strong SCHEMBL3205764 0.69 MAOA (0.42) MAOAMAOBTSHROXTRABCG2

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-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed