SCHEMBL10453239

SCHEMBL10453239

N#CCCCCCNC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.64
HDAC1 Q13547 6/20 0.64
HDAC2 Q92769 6/20 0.64
HDAC8 Q9BY41 6/20 0.64
HDAC3 O15379 5/20 0.64
HDAC4 P56524 5/20 0.64
HDAC7 Q8WUI4 5/20 0.64
HDAC10 Q969S8 5/20 0.64
HDAC11 Q96DB2 5/20 0.64
HDAC9 Q9UKV0 5/20 0.64
HDAC5 Q9UQL6 5/20 0.64
NAAA Q02083 1/20 0.64
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK1 P28482 1/20 0.54
NAMPT P43490 2/20 0.54
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 1/20 0.50

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
SCHEMBL4633788 0.93 NPC1 (0.60) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL3455667 0.86 GAA (0.57) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9452844 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL20734829 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL7460068 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9489804 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9188890 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9492235 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9489756 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL9492328 0.86 HDAC1 (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211629-B1 IRRIGATIONAL HEMOSTATIC SOLUTION Lemole, Gerald M. (US) 1990-06-06 EP disclosed
EP-0211629-A1 Irrigational hemostatic solution Lemole, Gerald M. (US) 1987-02-25 EP disclosed
US-4637815-A Irrigational hemostatic solution LEMOLE GERALD M 1987-01-20 US disclosed