SCHEMBL8734781

SCHEMBL8734781

O=C(c1ccccc1)P1(=O)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
ALDH1A1 P00352 4/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL4610969 0.92 L3MBTL1 (0.40) MAPTTSHRTDP1HSD17B10CYP3A4
SCHEMBL4612123 0.78 ACHE (0.36) MAPTTSHRTDP1HSD17B10CYP3A4
SCHEMBL4609957 0.77 CES1 (0.42) MAPTTSHRTDP1HSD17B10CYP3A4
SCHEMBL4612216 0.75 LMNA (0.40) MAPTTDP1HSD17B10CYP2C19L3MBTL1
SCHEMBL4611540 0.73 CYP1A2 (0.43) MAPTTSHRHSD17B10CYP3A4CYP2C19
SCHEMBL4611412 0.72 CES1 (0.38) MAPTTSHRTDP1HSD17B10CYP3A4
SCHEMBL18177970 0.71 L3MBTL1 (0.39) MAPTTDP1HSD17B10CYP2C19L3MBTL1
Benzoic Acid SCHEMBL2471038 0.66 TSHR (0.74) MAPTTSHRTDP1HSD17B10CYP3A4
Benzamide SCHEMBL28244650 0.65 MAPT (0.73) MAPTTSHRTDP1HSD17B10CYP3A4
Benzamide SCHEMBL28664785 0.64 PARP1 (0.94) MAPTTSHRTDP1HSD17B10CYP3A4

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-5723558-A MONOMERS OR MEDICAL MATERIAL, BIOSENSORS AND COSMETICS NOF CORPORATION (JP) 1998-03-03 US disclosed
EP-0790252-A1 FUMARIC ACID DERIVATIVE AND POLYMER THEREOF NOF CORPORATION (JP) 1997-08-20 EP disclosed