SCHEMBL17512940

SCHEMBL17512940

Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccccc2-c2ccccc2OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
TSHR P16473 2/20 0.68
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL669453 0.91 CYP3A4 (0.76) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL3684498 0.90 CYP3A4 (0.59) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL14784138 0.86 CYP3A4 (0.68) CYP3A4TSHRMEN1KMT2ALMNA
Anthraquinone SCHEMBL28853934 0.84 CYP3A4 (0.70) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL23802680 0.83 CYP3A4 (0.63) CYP3A4TSHRMEN1KMT2ALMNA
Toluene SCHEMBL28113409 0.83 TSHR (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL381595 0.83 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
Triphenyl Phosphate SCHEMBL27323542 0.83 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
Triphenyl Phosphate SCHEMBL4087814 0.83 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL9657737 0.83 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA

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-10301547-B2 Flame retardant composition, flame retardant fiber treated with flame retardant composition, and method for increasing amount of flame retardant component adhered onto fibers using said composition ADEKA CORPORATION (JP) 2019-05-28 US disclosed
US-20160053179-A1 FLAME RETARDANT COMPOSITION, FLAME RETARDANT FIBER TREATED WITH FLAME RETARDANT COMPOSITION, AND METHOD FOR INCREASING AMOUNT OF FLAME RETARDANT COMPONENT ADHERED ONTO FIBERS USING SAID COMPOSITION ADEKA CORPORATION (JP) 2016-02-25 US disclosed