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SCHEMBL9927331

SCHEMBL9927331

O=P(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cccc(-c2cc(-c3cccc(P(=O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)c3)cc(-c3cccc(P(=O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.47
▸ KIF11 P52732 4/20 0.46
▸ PTPN5 P54829 7/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ GLO1 Q04760 1/20 0.42
▸ AGXT P21549 1/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL11991161 0.93 PTPN5 (0.49) DHODHKIF11PTPN5PTPN1GLO1
SCHEMBL11991723 0.88 KIF11 (0.43) KIF11MEN1ALDH1A1KMT2A
SCHEMBL11991750 0.86 KIF11 (0.42) DHODHKIF11PTPN5PTPN1GLO1
SCHEMBL9927320 0.81 CNR1 (0.38) PTPN5PTPN1AGXTMEN1KMT2A
SCHEMBL11991130 0.80 PTPN5 (0.44) KIF11PTPN5ALDH1A1
SCHEMBL7152607 0.80 PTGS1 (0.52) KIF11
SCHEMBL29617169 0.80 PTGS1 (0.52) KIF11
SCHEMBL11991167 0.80 PTPN5 (0.43) DHODHKIF11PTPN5
SCHEMBL11991178 0.80 HDAC8 (0.46) DHODHPTPN5PTPN1ALDH1A1
SCHEMBL7154044 0.80 KIF11 (0.58) KIF11PTPN5PTPN1ALDH1A1

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-2463929-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING SAME Mitsubishi Chemical Corporation (JP) 2012-06-13 — — EP disclosed