SCHEMBL8159758

SCHEMBL8159758

Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.Cc1cccc(OP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
TSHR P16473 2/20 0.63
MAPT P10636 3/20 0.57
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CRHR2 Q13324 1/20 0.37
HSP90AA1 P07900 1/20 0.37
DHFR P00374 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
SCHEMBL3180409 1.00 CYP3A4 (0.63) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL1317613 1.00 CYP3A4 (0.63) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL7953386 0.95 CYP3A4 (0.58) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL11085823 0.95 CYP3A4 (0.58) CYP3A4TSHRMAPTMEN1KMT2A
Triphenyl Phosphate SCHEMBL30396346 0.88 MAPT (0.59) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL30441246 0.88 MAPT (0.59) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL234314 0.88 MAPT (0.59) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL989873 0.88 MAPT (0.59) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL108985 0.88 MAPT (0.71) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL14784138 0.86 CYP3A4 (0.68) CYP3A4TSHRMAPTMEN1KMT2A

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
US-6083875-A Solid glyphosate formulations MONSANTO COMPANY (US) 2000-07-04 US claimed
US-4999071-A Plasticizer and copolymer of vinyl chloride and epoxy containing monomer between glass layers NIPPON ZEON CO., LTD. (JP) 1991-03-12 US disclosed