SCHEMBL9309017

SCHEMBL9309017

Cc1ccc(OP(=O)(O)O)c(-c2cccc(O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
ACHE P22303 1/20 0.41
INPPL1 O15357 6/20 0.40
INPP5A Q14642 4/20 0.40
INPP5B P32019 2/20 0.40
S1PR4 O95977 1/20 0.39
AKT1 P31749 1/20 0.39
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
ESR1 P03372 1/20 0.37
ESRRG P62508 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
FYN P06241 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL9309589 0.86 PTGDR2 (0.40) MAOAMAOBPTGDR2ACHEINPPL1
SCHEMBL5518516 0.85 PTGDR2 (0.57) MAOBPTGDR2INPPL1INPP5AINPP5B
SCHEMBL9308423 0.82 INPPL1 (0.49) INPPL1INPP5AINPP5BHSD17B1HSD17B2
SCHEMBL16710403 0.80 FYN (0.49) MAOAMAOBPTGDR2ACHEHSD17B1
SCHEMBL9309598 0.77 INPPL1 (0.40) MAOAINPPL1INPP5AINPP5BAKT1
SCHEMBL9307758 0.77 INPPL1 (0.46) INPPL1INPP5AINPP5BAKT1HSD17B1
SCHEMBL3886720 0.75 PTGDR2 (0.56) MAOBPTGDR2GPR84
SCHEMBL9308571 0.74 INPPL1 (0.41) INPPL1INPP5AINPP5BAKT1HSD17B1
SCHEMBL6057404 0.74 PTGDR2 (0.55) MAOBPTGDR2GPR84
SCHEMBL9310740 0.73 HSD17B1 (0.42) MAOAMAOBINPPL1INPP5AINPP5B

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
US-5278212-A Hydroxy phenyl organo phosphorus compound ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-01-11 US disclosed