SCHEMBL9927240

SCHEMBL9927240

O=P(c1ccc(-c2cccc3ccccc23)cc1)(c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PPARG P37231 9/20 0.45
PPARA Q07869 9/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PPARD Q03181 1/20 0.45
MCL1 Q07820 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
CYP1A2 P05177 1/20 0.44
PTPN1 P18031 1/20 0.43
TNF P01375 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41

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
SCHEMBL17451884 0.96 CA12 (0.54) CA12CA1CA2CA9HDAC8
SCHEMBL11981989 0.96 CA12 (0.54) CA12CA1CA2CA9HDAC8
SCHEMBL17451984 0.87 CA1 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL17451895 0.87 CA12 (0.47) CA12CA1CA2CA9HDAC8
SCHEMBL17452029 0.87 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL17451883 0.87 HDAC8 (0.48) CA12CA1CA2CA9HDAC8
SCHEMBL30122908 0.85 CA12 (0.66) CA12CA1CA2CA9HDAC8
SCHEMBL27397913 0.85 HDAC8 (0.57) CA12CA1CA2CA9HDAC8
SCHEMBL19444969 0.84 NPC1 (0.48) CA12CA1CA2CA9HDAC8
SCHEMBL3798335 0.83 CA12 (0.62) CA12CA1CA2CA9HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
EP-2463929-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING SAME Mitsubishi Chemical Corporation (JP) 2012-06-13 EP disclosed