SCHEMBL9067967

SCHEMBL9067967

CCOC(=O)C(P(=O)(OCC)OCC)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TP53 P04637 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2D6 P10635 1/20 0.37
PPARD Q03181 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
SCHEMBL426906 0.80 CYP3A4 (0.43) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10108 0.80 GAA (0.40) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL17937995 0.79 POLB (0.46) TSHRCYP3A4TDP1CYP2C9CYP2C19
SCHEMBL365852 0.78 CYP3A4 (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL8532180 0.78 POLB (0.40) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL1651880 0.78 CYP3A4 (0.46) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL7470858 0.78 CYP3A4 (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL9377677 0.78 CYP3A4 (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL1052265 0.78 POLB (0.40) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL331957 0.77 CYP3A4 (0.38) ALDH1A1TSHRCYP3A4ALOX15TDP1

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
EP-0690890-A1 PHOSPHORUS-CONTAINING FLAME RETARDANTS COURTAULDS PLC (GB) 1996-01-10 EP disclosed
WO-1994021724-A1 PHOSPHORUS-CONTAINING FLAME RETARDANTS COURTAULDS PLC (GB) 1994-09-29 WO disclosed