SCHEMBL9504635

SCHEMBL9504635

O=C(O)CCCNOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
ATM Q13315 1/20 0.54
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3424944 0.93 HTT (0.55) HTTATMHDAC3MAPK1ADRA1A
SCHEMBL9543244 0.89 HTT (0.53) HTTATMHDAC3MAPK1ADRA1A
SCHEMBL9069760 0.83 HTT (0.44) HTTATMHDAC3MAPK1SMN1; SMN2
SCHEMBL7562595 0.82 LTA4H (0.54) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL437919 0.81 MAOA (0.48) NPC1RAB9ATSHRHRAS
SCHEMBL9705390 0.81 HTT (0.64) HTTATMHDAC3MAPK1ADRA1A
Hydrochloric Acid SCHEMBL9781755 0.81 LTA4H (0.53) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8724007 0.80 HRAS (0.47) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9157683 0.79 ALDH1A1 (0.52) HTTMAPK1SLC6A3SMN1; SMN2NPC1
SCHEMBL7076895 0.79 HTT (0.42) HTTNPC1RAB9ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed