SCHEMBL7172154

SCHEMBL7172154

O=C(O)C1(O)Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1B1 P15121 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C1 Q04828 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10895943 0.75 THRB (0.41) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL9346852 0.72 THRB (0.38) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL524491 0.71 THRB (0.61) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL5886685 0.71 THRB (0.38) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL8607562 0.71 CYP2C19 (0.37) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL9341765 0.71 THRB (0.37) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL4633534 0.70 LMNA (0.41) THRBTDP1CYP2C19CYP2C9CYP3A4
Bromide SCHEMBL27764709 0.69 THRB (0.59) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL8051377 0.68 CYP2C19 (0.36) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL727644 0.68 CFTR (0.40) TDP1AKR1B1CYP2C19CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026146-B1 A method for producing purified phenylenedioxydiacetic acids SUMITOMO CHEMICAL CO (JP) 2003-01-02 EP disclosed
US-6316666-B1 PRECIPITATION BY MIXING ALKALINE AQUEOUS SOLUTION OF CRUDE PHENYLENEDIOXYDIACETIC ACID WITH MINERAL ACID; ETHERIFICATION SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-11-13 US disclosed
EP-1026146-A2 A method for producing purified phenylenedioxydiacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-08-09 EP disclosed