SCHEMBL6544825

SCHEMBL6544825

CC(C)(c1ccccc1)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ESR1 P03372 1/20 0.48
CYP3A4 P08684 1/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 8/20 0.46
POLB P06746 2/20 0.46
SRC P12931 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1900143 0.98 ALDH1A1 (0.50) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL3693240 0.95 SRC (0.52) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL12670502 0.90 ALDH1A1 (0.48) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL27504749 0.90 SRC (0.60) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL27454963 0.90 SRC (0.60) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL2290182 0.89 ESR1 (0.58) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL5077474 0.88 SRC (0.62) ALDH1A1ESR1CYP3A4ESR2KDM4E
Bisphenol A SCHEMBL811003 0.87 ESR1 (0.59) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL27501261 0.86 SRC (0.60) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL4852419 0.84 TSHR (0.52) ALDH1A1ESR1CYP3A4ESR2MEN1

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
EP-1022308-B1 POLYPROPYLENE COMPOSITION CHISSO CORP (JP) 2004-01-07 EP disclosed
US-6410662-B1 HIGH MOLECULAR WEIGHT; USING COORDINATION POLYMERIZATION CATALYST CHISSO CORPORATION (JP) 2002-06-25 US disclosed
EP-1022308-A1 POLYPROPYLENE COMPOSITION CHISSO CORPORATION (JP) 2000-07-26 EP disclosed