SCHEMBL11369449

SCHEMBL11369449

Cc1ccc(CC(C(O)C(C)(C)C)n2cncn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
MEN1 O00255 3/20 0.79
TDP1 Q9NUW8 2/20 0.58
HSP90AA1 P07900 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.45
CYP19A1 P11511 7/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.36
PDE4B Q07343 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL22609989 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL3678556 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL8566021 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL68549 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL11369815 0.88 KMT2A (0.77) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL36911 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL912888 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL11367562 0.88 KMT2A (0.77) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL10368769 0.88 MEN1 (0.76) KMT2AMEN1TDP1HSP90AA1POLB
Hydrochloric Acid SCHEMBL23094017 0.87 MEN1 (0.97) KMT2AMEN1TDP1HSP90AA1POLB

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-4243405-A HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-06 US claimed