SCHEMBL27993246

SCHEMBL27993246

O=C(O)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
ESR1 P03372 4/20 0.56
ESR2 Q92731 2/20 0.56
LMNA P02545 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SLC6A2 P23975 2/20 0.53
CHRM1 P11229 1/20 0.53
KDR P35968 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3397614 0.91 TDP1 (0.73) TDP1ESR1ESR2LMNANPC1
SCHEMBL16217656 0.86 TDP1 (0.79) TDP1ESR1ESR2LMNANPC1
SCHEMBL547137 0.86 TDP1 (0.79) TDP1ESR1ESR2LMNANPC1
SCHEMBL13292516 0.86 TDP1 (0.79) TDP1ESR1ESR2LMNANPC1
SCHEMBL22418 0.86 TDP1 (0.59) TDP1ESR1ESR2LMNANPC1
SCHEMBL31298566 0.86 TDP1 (0.59) TDP1ESR1ESR2LMNANPC1
SCHEMBL137486 0.83 TDP1 (0.83) TDP1ESR1ESR2LMNANPC1
SCHEMBL27782523 0.83 TDP1 (0.81) TDP1ESR1ESR2LMNANPC1
SCHEMBL19235060 0.81 TDP1 (0.54) TDP1ESR1ESR2LMNANPC1
SCHEMBL13292517 0.81 TDP1 (0.54) TDP1ESR1ESR2LMNANPC1

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
CN-104380179-A Ophthalmic lens supply system and related methods ESSILOR INTERNAT CIE GERERALE G OPTIQUE 2015-02-25 CN disclosed
CN-104380180-A Ophthalmic lenses taking into account the wearer's handedness ESSILOR INT 2015-02-25 CN disclosed