SCHEMBL12865769

SCHEMBL12865769

O=C(OCC(O)COc1ccccc1)c1ccc(C(=O)OCC(O)COc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ADRB2 P07550 6/20 0.55
ADRB1 P08588 6/20 0.55
ADRB3 P13945 6/20 0.55
CYP2D6 P10635 2/20 0.51
ABCB1 P08183 1/20 0.49

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
SCHEMBL7037877 0.97 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17991052 0.94 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12311419 0.94 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13296243 0.94 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13296202 0.93 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12311421 0.90 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12311424 0.89 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14545170 0.89 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17991055 0.89 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12663482 0.88 ADRB2 (0.63) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7892713-B2 Photoconductors containing terephthalate esters EASTMAN KODAK COMPANY (US) 2011-02-22 US disclosed
US-7892713-B2 Photoconductors containing terephthalate esters EASTMAN KODAK COMPANY (US) 2011-02-22 US disclosed
US-20090087764-A1 PHOTOCONDUCTORS CONTAINING TEREPHTHALATE ESTERS BANK OF AMERICA, N.A., AS AGENT 2009-04-02 US disclosed
US-20090087764-A1 PHOTOCONDUCTORS CONTAINING TEREPHTHALATE ESTERS BANK OF AMERICA, N.A., AS AGENT 2009-04-02 US disclosed