SCHEMBL11642249

SCHEMBL11642249

CCCC(Nc1ccccc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
ALOX12 P18054 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 5/20 0.35
HPGD P15428 1/20 0.35
AOC3 Q16853 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL11640867 0.88 TDP1 (0.38) TDP1ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL11639632 0.86 HDAC8 (0.40) TDP1ALDH1A1
SCHEMBL11637355 0.83 TDP1 (0.43) TDP1NPSR1L3MBTL1ALDH1A1CYP3A4
SCHEMBL31614348 0.76 TDP1 (0.48) TDP1NPSR1L3MBTL1ALDH1A1CYP3A4
SCHEMBL11638353 0.75 HDAC8 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL11639534 0.75 HDAC8 (0.39) ALDH1A1LMNAGAAKDM4E
SCHEMBL10696330 0.75 TDP1 (0.52) TDP1NPSR1L3MBTL1ALDH1A1CYP3A4
SCHEMBL14541275 0.74 TDP1 (0.50) TDP1L3MBTL1ALDH1A1CYP3A4ALOX15
SCHEMBL7736363 0.74 L3MBTL1 (0.48) TDP1L3MBTL1ALDH1A1CYP3A4ALOX15
SCHEMBL28154641 0.74 TDP1 (0.35) TDP1L3MBTL1ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076849-A AROMATIC SECONDARY AMINES CANADA PACKERS LIMITED (CA) 1978-02-28 US disclosed