SCHEMBL9463999

SCHEMBL9463999

CCC(=O)OCOC(COc1ccccc1)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ MTNR1A P48039 3/20 0.45
▸ MTNR1B P49286 3/20 0.45
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL9464093 0.86 MTNR1A (0.50) LMNAMTNR1AMTNR1BTDP1MAPT
SCHEMBL805314 0.81 HTT (0.51) LMNAMTNR1AMTNR1BHTTTDP1
SCHEMBL9196060 0.80 MTNR1A (0.48) LMNAMTNR1AMTNR1BMAPT
SCHEMBL805315 0.79 MEN1 (0.52) LMNAMAPT
SCHEMBL9463439 0.79 ALDH1A1 (0.44) TDP1
SCHEMBL6378681 0.77 SLC1A1 (0.42) TDP1
SCHEMBL7270606 0.76 LMNA (0.50) LMNAMTNR1AMTNR1B
SCHEMBL868517 0.76 THRB (0.59) LMNAMTNR1AMTNR1BHTTTDP1
SCHEMBL8447408 0.75 ALDH1A1 (0.40) LMNAMAPT
SCHEMBL25282287 0.75 THRB (0.57) LMNAMTNR1AMTNR1BHTTTDP1

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
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 — — US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 — — EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 — — EP disclosed
Send feedback