SCHEMBL4861999

SCHEMBL4861999

Cc1cccc(C)c1OP(=O)(Oc1c(C)cccc1C)c1cc(O)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
MAPT P10636 1/20 0.36
ANPEP P15144 1/20 0.35
DPP4 P27487 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TYR P14679 1/20 0.34

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
SCHEMBL4864990 0.81 MAPT (0.39) POLBCYP1A2CYP2C19MAPTCA12
SCHEMBL28152889 0.76 TDP1 (0.48) POLBMAOBCYP1A2CYP2C19MAPT
SCHEMBL4860221 0.74 GAA (0.37) POLBCYP1A2CYP2C19HSD17B1HSD17B2
Resorcinol SCHEMBL1458397 0.73 SRC (0.50) CYP1A2CYP2C19HSD17B1HSD17B2MAPT
Resorcinol SCHEMBL1013060 0.73 CYP3A4 (0.43) POLBCYP1A2CYP2C19HSD17B1HSD17B2
Hydroquinone SCHEMBL2549100 0.73 SCN8A (0.40) POLBCYP1A2CYP2C19MAPTGAA
Resorcinol SCHEMBL14939224 0.72 CYP3A4 (0.41) CYP1A2CYP2C19HSD17B1HSD17B2MAPT
Hydroquinone SCHEMBL9718342 0.71 SCN8A (0.39) CYP1A2CYP2C19MAPTGAAMEN1
Resorcinol SCHEMBL28540177 0.71 ALDH1A1 (0.40) CYP1A2CYP2C19HSD17B1HSD17B2MAPT
SCHEMBL29530761 0.70 POLB (0.71) POLBMAOBCA12CA1CA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008513585-A 2008-05-01 JP claimed
EP-1791850-A1 1,4-HYDROQUINONE FUNCTIONALIZED PHOSPHINATES AND PHOSPHONATES CHEMTURA CORPORATION (US) 2007-06-06 EP claimed
US-20060099458-A1 1, 4-Hydroquinone functionalized phosphinates and phosphonates HANSON MARK V 2006-05-11 US claimed
WO-2006034445-A1 1,4-HYDROQUINONE FUNCTIONALIZED PHOSPHYNATES AND PHOSPHONATES CHEMTURA CORPORATION (US) 2006-03-30 WO claimed
EP-1791850-A1 1,4-HYDROQUINONE FUNCTIONALIZED PHOSPHINATES AND PHOSPHONATES CHEMTURA CORPORATION (US) 2007-06-06 EP disclosed
US-20060099458-A1 1, 4-Hydroquinone functionalized phosphinates and phosphonates HANSON MARK V 2006-05-11 US disclosed
WO-2006034445-A1 1,4-HYDROQUINONE FUNCTIONALIZED PHOSPHYNATES AND PHOSPHONATES CHEMTURA CORPORATION (US) 2006-03-30 WO disclosed