SCHEMBL17748845

SCHEMBL17748845

CC(O)Oc1ccccc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
RHEB Q15382 1/20 0.43
CTNNB1 P35222 1/20 0.43
LTA4H P09960 1/20 0.42
TSHR P16473 1/20 0.42
TSPO P30536 1/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
RIPK1 Q13546 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
TTR P02766 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL11012886 0.85 KMT2A (0.47) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL2962387 0.85 KMT2A (0.47) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL24926216 0.83 ALDH1A1 (0.50) L3MBTL1HTTALDH1A1MAPK1LMNA
SCHEMBL11028335 0.80 L3MBTL1 (0.47) L3MBTL1HTTALDH1A1MAPK1LMNA
SCHEMBL11027708 0.80 L3MBTL1 (0.47) L3MBTL1HTTALDH1A1MAPK1LMNA
SCHEMBL1538036 0.79 KMT2A (0.69) L3MBTL1HTTLMNAPOLBCTNNB1
SCHEMBL11210411 0.79 L3MBTL1 (0.42) L3MBTL1HTTALDH1A1MAPK1LMNA
SCHEMBL21775576 0.79 TSPO (0.43) L3MBTL1HTTALDH1A1MAPK1LMNA
SCHEMBL167127 0.78 LMNA (0.52) ALDH1A1LMNAPOLBLTA4HTSHR
SCHEMBL15709 0.78 LMNA (0.52) ALDH1A1LMNAPOLBLTA4HTSHR

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-3218425-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2017-09-20 EP disclosed
WO-2016077513-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2016-05-19 WO disclosed