SCHEMBL8941757

SCHEMBL8941757

COc1cc(C)ccc1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HCRTR1 O43613 1/20 0.46
HPGD P15428 7/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL3174312 0.84 HPGD (0.54) CYP3A4TSHRL3MBTL1TDP1MEN1
SCHEMBL160572 0.84 HPGD (0.54) CYP3A4TSHRL3MBTL1TDP1MEN1
SCHEMBL31398306 0.81 TTR (0.67) TSHRTDP1HPGDCYP1A2CYP2C9
SCHEMBL133556 0.80 CYP3A4 (0.49) CYP3A4TSHRL3MBTL1TDP1MEN1
SCHEMBL669453 0.78 CYP3A4 (0.76) CYP3A4TSHRTDP1MEN1KMT2A
SCHEMBL381595 0.77 CYP3A4 (0.83) CYP3A4TSHRL3MBTL1TDP1MEN1
Triphenyl Phosphate SCHEMBL27323542 0.77 CYP3A4 (0.83) CYP3A4TSHRL3MBTL1TDP1MEN1
Triphenyl Phosphate SCHEMBL4087814 0.77 CYP3A4 (0.83) CYP3A4TSHRL3MBTL1TDP1MEN1
SCHEMBL9657737 0.77 CYP3A4 (0.83) CYP3A4TSHRL3MBTL1TDP1MEN1
SCHEMBL35597 0.77 CYP3A4 (0.83) CYP3A4TSHRL3MBTL1TDP1MEN1

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
CN-107001789-B Halogen-free flame-retardant composition 路博润先进材料公司 2021-02-02 CN disclosed
US-5550179-A Water based lacquer compositions and method of making and using same SROURIAN NICHAN (US) 1996-08-27 US disclosed