SCHEMBL13063418

SCHEMBL13063418

C=C(CCCCCOc1ccc(N)cc1)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
TSHR P16473 1/20 0.43
PRMT1 Q99873 3/20 0.41
F2 P00734 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
PLAU P00749 1/20 0.41
GAA P10253 1/20 0.41
PRMT5 O14744 1/20 0.41
NR5A1 Q13285 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
SCHEMBL12832801 0.95 HDAC1 (0.50) TDP1HDAC1HDAC3HDAC4HDAC7
SCHEMBL13933074 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL831000 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17262864 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8117338 0.80 TDP1 (0.50) TDP1TSHRPRMT1F2ST14
SCHEMBL4026012 0.78 TDP1 (0.59) TDP1TSHRPRMT1F2ST14
SCHEMBL4026782 0.78 TDP1 (0.59) TDP1TSHRPRMT1F2ST14
SCHEMBL8207344 0.78 TDP1 (0.59) TDP1TSHRPRMT1F2ST14
SCHEMBL10562442 0.78 TDP1 (0.59) TDP1TSHRPRMT1F2ST14
SCHEMBL4021022 0.78 TDP1 (0.59) TDP1TSHRPRMT1F2ST14

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
EP-1937182-B1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2010-12-15 EP disclosed