SCHEMBL9132002

SCHEMBL9132002

c1ccc2c(c1)OPOc1ccccc1S2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
BCHE P06276 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
PTGS2 P35354 1/20 0.37
SNCA P37840 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL2583969 0.78
SCHEMBL30058027 0.78 ABCG2 (0.40) MAOATDP1ABCG2ITGB2ICAM1
Phenoxathiine SCHEMBL7922 0.76 MAOA (0.42) MAOABCHEMEN1CYP1A2POLB
Phenoxathiine SCHEMBL29373698 0.76 MAOA (0.42) MAOABCHEMEN1CYP1A2POLB
Phenoxathiine SCHEMBL29396568 0.76 MAOA (0.42) MAOABCHEMEN1CYP1A2POLB
Phenoxathiine SCHEMBL5970725 0.74 MAOA (0.40) MAOABCHEMEN1CYP1A2POLB
Phenoxathiine SCHEMBL5699627 0.74 MAOA (0.40) MAOABCHEMEN1CYP1A2POLB
SCHEMBL19205828 0.74 AHR (0.41) MAOABCHEMEN1CYP1A2POLB
Phenoxathiine SCHEMBL10512948 0.74 MAOA (0.40) MAOABCHEMEN1CYP1A2POLB
Phenoxathiine SCHEMBL11361322 0.72 MAOA (0.39) MAOABCHEMEN1CYP1A2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414028-A Heat and oxidation resistance for polymers CIBA-GEIGY CORPORATION (US) 1995-05-09 US disclosed
US-5356962-A Heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
US-5310889-A Stabilizers for polymers to give heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1994-05-10 US disclosed
US-5310891-A Stabilizers for polymers to give heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1994-05-10 US disclosed
US-5310890-A Stabilizers for polymers to give heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1994-05-10 US disclosed