SCHEMBL915642

SCHEMBL915642

CCC(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 7/20 0.68
CMA1 P23946 3/20 0.48
CTSG P08311 1/20 0.48
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
Magnesium SCHEMBL914486 0.98 ACP3 (0.66) ACP3CMA1CTSGCA12CA2
SCHEMBL31688360 0.82 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31688369 0.82 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL914484 0.82 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
Lithium Ion SCHEMBL914565 0.82 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
Lithium Ion SCHEMBL31688364 0.82 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL915431 0.82 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28980055 0.77 ACP3 (0.55) ACP3CMA1CTSGCA12CA2
SCHEMBL28980057 0.77 ACP3 (0.55) ACP3CMA1CTSGCA12CA2
SCHEMBL5051142 0.77 ACP3 (0.49) ACP3CMA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868126-B2 Process for producing polyester, polyester produced using said process, and polyester molded product TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-01-11 US disclosed