SCHEMBL9117879

SCHEMBL9117879

CCCCCCC(C)(O[C]=O)C(=O)OCCCC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.33
NAAA Q02083 1/20 0.33
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
EPHX1 P07099 1/20 0.31
TSHR P16473 2/20 0.31
ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL7030712 0.76 CA1 (0.31) CA1CA2
SCHEMBL20910258 0.74 ALDH1A1 (0.38) ACE2NAAAATMMAPTL3MBTL1
SCHEMBL1420928 0.70 ALDH1A1 (0.45) NAAAATML3MBTL1ALDH1A1EPHX1
SCHEMBL9486709 0.69 NAAA (0.46) NAAAATMMEN1MAPTKMT2A
SCHEMBL9148981 0.69 MEN1 (0.33) ACE2MEN1KMT2AALDH1A1CA1
SCHEMBL28023507 0.69 PRKCA (0.36) ACE2NAAAMEN1KMT2AALDH1A1
SCHEMBL20853830 0.68 NAAA (0.47) NAAAATMMEN1MAPTKMT2A
SCHEMBL20853954 0.68 NAAA (0.47) NAAAATMMEN1MAPTKMT2A
SCHEMBL20854005 0.68 NAAA (0.47) NAAAATMMEN1MAPTKMT2A
SCHEMBL20853962 0.68 NAAA (0.47) NAAAATMMEN1MAPTKMT2A

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
EP-0269963-B1 Ferroelectric liquid crystals HOFFMANN LA ROCHE (CH) 1995-02-22 EP disclosed
EP-0269963-A2 Ferroelectric liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1988-06-08 EP disclosed