SCHEMBL9862834

SCHEMBL9862834

O=C(NCCCO)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
POLB P06746 1/20 0.60
ESRRG P62508 2/20 0.56
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
GFER P55789 2/20 0.54
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL9717433 0.92 POLB (0.68) POLBALDH1A1NPC1RAB9AMAPK1
SCHEMBL8142775 0.88 POLB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7087881 0.88 HDAC1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11756884 0.88 HDAC1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1161862 0.86 GFER (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29833827 0.84 POLB (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3000922 0.83 POLB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19133487 0.83 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL164070 0.83 L3MBTL1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6207746 0.83 L3MBTL1 (0.70) POLBALDH1A1NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0083256-B1 BENZAMIDE DERIVATIVES KOWA COMPANY, LTD. (JP) 1986-02-26 EP disclosed
US-4448989-A N-Nitroxyalkylene benzamide derivatives KOWA COMPANY, LTD. (JP) 1984-05-15 US disclosed
EP-0083256-A1 Benzamide derivatives KOWA COMPANY, LTD. (JP) 1983-07-06 EP disclosed