SCHEMBL5340425

SCHEMBL5340425

CCCCC(C)c1cc(Nc2ccccc2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
HSD17B10 Q99714 5/20 0.39
CYP3A4 P08684 5/20 0.39
ALOX12 P18054 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
ALOX15 P16050 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL18109165 0.86 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3689775 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL29131829 0.81 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL157491 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3955291 0.76 SKP2 (0.36) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL11035218 0.75 CYP1A2 (0.43) ALDH1A1SMN1; SMN2HSD17B10CYP3A4ALOX15
SCHEMBL11800992 0.75 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL30392107 0.74 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6535929 0.74 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL19936380 0.73 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7195828-B2 Lubricant for magnetic recording medium and use thereof SHELL OIL COMPANY (US) 2007-03-27 US disclosed
EP-1454316-A2 LUBRICANT FOR MAGNETIC RECORDING MEDIUM AND USE THEREOF Pennzoil-Quaker State Company (US) 2004-09-08 EP disclosed
WO-2003030151-A2 LUBRICANT FOR MAGNETIC RECORDING MEDIUM AND USE THEREOF PENNZOIL-QUAKER STATE COMPANY (US) 2003-04-10 WO disclosed
US-20020114980-A1 Lubricant for magnetic recording medium and use thereof PENNZOIL-QUAKER STATE COMPANY 2002-08-22 US disclosed