SCHEMBL9044455

SCHEMBL9044455

O=C(O)CCCCCCCCCC(=O)OC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
MGLL Q99685 1/20 0.38
EPHX1 P07099 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36

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
SCHEMBL9044854 1.00 NAAA (0.44) NAAAMEN1KMT2AALDH1A1LMNA
SCHEMBL9043889 1.00 NAAA (0.44) NAAAMEN1KMT2AALDH1A1LMNA
SCHEMBL26645487 0.90 LMNA (0.49) NAAAMEN1KMT2AALDH1A1LMNA
SCHEMBL9043156 0.88 NAAA (0.44) NAAAMEN1KMT2ALMNAPOLB
SCHEMBL6132130 0.88 NAAA (0.44) NAAAMEN1KMT2ALMNAPOLB
SCHEMBL9042040 0.88 NAAA (0.44) NAAAMEN1KMT2ALMNAPOLB
SCHEMBL10385001 0.88 NAAA (0.44) NAAAMEN1KMT2ALMNAPOLB
SCHEMBL26645767 0.87 LMNA (0.50) NAAAMEN1KMT2AALDH1A1LMNA
SCHEMBL11512919 0.86 NAAA (0.43) NAAAMEN1KMT2AALDH1A1LMNA
SCHEMBL28466767 0.86 NAAA (0.62) NAAA

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-0698027-A1 DEOXYTHIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES SMITHKLINE BEECHAM PLC (GB) 1996-02-28 EP disclosed
WO-1994026750-A1 DEOXYTHIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES SMITHKLINE BEECHAM PLC (GB) 1994-11-24 WO disclosed