SCHEMBL7631396

SCHEMBL7631396

CCCc1ccc(C(=O)CC(=O)c2ccc(CCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
PLK1 P53350 2/20 0.66
THRB P10828 4/20 0.58
POLB P06746 3/20 0.58
CTDSP1 Q9GZU7 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HAO1 Q9UJM8 1/20 0.57
THRA P10827 3/20 0.53
KMT2A Q03164 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.48

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
SCHEMBL7634965 0.92 L3MBTL1 (0.64) L3MBTL1PLK1THRBPOLBCTDSP1
SCHEMBL14098923 0.92 KMT2A (0.61) L3MBTL1PLK1THRBPOLBCTDSP1
SCHEMBL2362399 0.89 CYP4A11 (0.60) L3MBTL1PLK1THRBPOLBCTDSP1
SCHEMBL7633932 0.88 PLK1 (0.68) PLK1THRBALDH1A1HAO1THRA
SCHEMBL15580575 0.88 NPC1 (0.59) L3MBTL1PLK1ALDH1A1KMT2ANPC1
SCHEMBL10021819 0.87 L3MBTL1 (0.67) L3MBTL1PLK1THRBPOLBCTDSP1
SCHEMBL30089521 0.87 L3MBTL1 (0.85) L3MBTL1PLK1THRBPOLBCTDSP1
SCHEMBL21126912 0.87 L3MBTL1 (0.57) L3MBTL1PLK1THRBPOLBCTDSP1
SCHEMBL7630228 0.86 NPC1 (0.58) L3MBTL1PLK1THRBALDH1A1NPC1
SCHEMBL11135316 0.85 L3MBTL1 (0.56) L3MBTL1PLK1THRBPOLBCTDSP1

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-6448304-B1 POLYURETHANE, POLYTHIOURETHANE OR DIETHYLENE GLYCOL BISALLYLCARBONATE POLYMER; DIPPING IN SOLUTION CONTAINING A DIBENZOYLMETHANE OR A BENZOTRIZOLE COMPOUND; PLASTIC LENS FOR SPECTACLES WHICH ABSORBS ULTRAVIOLET RAYS; LOW YELLOWNESS HOYA CORPORATION (JP) 2002-09-10 US disclosed