SCHEMBL6507073

SCHEMBL6507073

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL1052265 0.84 POLB (0.40) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL1594230 0.73 ALDH1A1 (0.42) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL8532180 0.73 POLB (0.40) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL6922463 0.73 GAA (0.40) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL5100575 0.72 CYP3A4 (0.41) POLBTSHRGAACYP3A4CYP2C9
SCHEMBL7718920 0.72 POLB (0.39) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL10108 0.71 GAA (0.40) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL14524858 0.70 POLB (0.38) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL1051880 0.70 POLB (0.53) POLBALDH1A1TSHRGAACYP3A4
SCHEMBL9461450 0.69 ALDH1A1 (0.54) POLBALDH1A1TSHRGAACYP3A4

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed