SCHEMBL8912892

SCHEMBL8912892

CCCCCCCCCCCCCCCCOCCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 2/20 0.50
CETP P11597 3/20 0.49
NAAA Q02083 1/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
LTA4H P09960 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
APAF1 O14727 1/20 0.44
DNM1 Q05193 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL25862599 1.00 L3MBTL1 (0.55) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL28286457 1.00 L3MBTL1 (0.55) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL27189078 1.00 L3MBTL1 (0.55) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL8263938 1.00 L3MBTL1 (0.55) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL28427678 1.00 L3MBTL1 (0.55) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL27365325 0.98 L3MBTL1 (0.54) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL21696886 0.98 L3MBTL1 (0.54) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL25862597 0.98 L3MBTL1 (0.53) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL15887771 0.98 L3MBTL1 (0.57) L3MBTL1TDP1TSHRCETPNAAA
SCHEMBL19227196 0.98 L3MBTL1 (0.57) L3MBTL1TDP1TSHRCETPNAAA

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
US-5614548-A TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS WAKE FOREST UNIVERSITY (US) 1997-03-25 US disclosed
WO-1990004918-A2 QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS WAKE FOREST UNIVERSITY (US) 1990-05-17 WO disclosed