SCHEMBL8923151

SCHEMBL8923151

COC(C)OC.COc1ccc(C(=O)C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
PLK1 P53350 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
MAOB P27338 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSPD1 P10809 1/20 0.47
TNFRSF1A P19438 1/20 0.47
HSPE1 P61604 1/20 0.47
CYP1B1 Q16678 1/20 0.47
TCF4 P15884 1/20 0.47

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
SCHEMBL1641142 0.89 CES2 (0.61) F3MAPTALDH1A1HPGDCES2
Water SCHEMBL3047437 0.87 F3 (0.59) F3MAPTALDH1A1HPGDCES2
SCHEMBL8922721 0.84 ALDH1A1 (0.52) MAPTALDH1A1HPGDCES2CES1
SCHEMBL8923089 0.83 MAPT (0.46) MAPTALDH1A1CES2CES1CYP1A2
Phenylglyoxal SCHEMBL8924305 0.82 TDP1 (0.67) MAPTALDH1A1CYP3A4MAOBMEN1
SCHEMBL8923535 0.78 MAOB (0.50) MAPTALDH1A1CES1CA1CA2
SCHEMBL7000261 0.75 F3 (0.75) F3MAPTALDH1A1HPGDCES2
SCHEMBL7000262 0.75 F3 (0.75) F3MAPTALDH1A1HPGDCES2
SCHEMBL10426836 0.75 RXFP1 (0.59) MAPTALDH1A1HPGDCES2CES1
SCHEMBL11298787 0.75 F3 (0.64) F3MAPTALDH1A1HPGDCES2

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-5610016-A REACTING A GLYOXAL DERIVATIVE, CHEMILUMINESCENCE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-03-11 US disclosed
EP-0675360-A2 Method for measuring adenyl group containing substances using heteropoly acid MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-10-04 EP disclosed