SCHEMBL11264314

SCHEMBL11264314

O=C(O)c1cc(OC(=O)c2cccc(C(=O)O)c2)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NR4A2 P43354 1/20 0.49
MEN1 O00255 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
KMO O15229 2/20 0.47
SERPINE1 P05121 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL11202828 0.98 AKR1C3 (0.55) AKR1C3ESR1ESR2KMT2AMAPT
SCHEMBL11196204 0.92 AKR1C3 (0.61) AKR1C3ESR1ESR2KMT2AMAPT
SCHEMBL28423662 0.90 KMT2A (0.59) AKR1C3ESR1ESR2KMT2AMAPT
SCHEMBL8848151 0.90 LMNA (0.56) AKR1C3KMT2AMAPTTDP1MEN1
SCHEMBL995523 0.89 AKR1C3 (0.61) AKR1C3ESR1ESR2KMT2AMAPT
SCHEMBL10497239 0.89 AKR1C3 (0.56) AKR1C3ESR1ESR2KMT2AMAPT
Ammonia Solution, Strong SCHEMBL9182335 0.87 AKR1C3 (0.55) AKR1C3ESR1ESR2KMT2AMAPT
SCHEMBL12649365 0.86 KMT2A (0.59) AKR1C3ESR1ESR2KMT2AMAPT
SCHEMBL28910925 0.86 ESR1 (0.56) AKR1C3ESR1ESR2KMT2AMEN1
SCHEMBL28455036 0.85 AKR1C3 (0.58) AKR1C3ESR1ESR2KMT2AMAPT

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
EP-0052927-A2 Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-06-02 EP disclosed