SCHEMBL9668152

SCHEMBL9668152

O=C(NCCO)c1ccc(O)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.59
ESRRG P62508 1/20 0.59
POLB P06746 4/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 3/20 0.53
HTT P42858 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA14 Q9ULX7 2/20 0.52

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
SCHEMBL4913264 0.83 ALDH1A1 (0.62) HTTCA12CA1CA2CA7
SCHEMBL10184830 0.81 CYP1A2 (0.58) ESRRBESRRGPOLBTHRBRECQL
SCHEMBL9665990 0.80 ESRRG (0.60) ESRRBESRRGPOLBHPGDHTT
SCHEMBL1587824 0.80 POLB (0.65) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL12722670 0.80 POLB (0.57) ESRRBESRRGPOLBTHRBRECQL
Gentisic Acid Ethanolamide SCHEMBL1179368 0.79 NAAA (0.65) CA12CA1CA2CA7CA9
Gentisic Acid Ethanolamide SCHEMBL29379843 0.79 NAAA (0.65) CA12CA1CA2CA7CA9
SCHEMBL2648954 0.79 KDM4E (0.70) ESRRBESRRGPOLBTHRBRECQL
SCHEMBL12529312 0.78 ESRRG (0.61) ESRRBESRRGPOLBTHRBRECQL
SCHEMBL27750343 0.77 NPC1 (0.68) POLBHPGDHTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137242-B1 (SUBSTITUTED) PHENYL-ALIPHATIC-ISOXAZOLES USEFUL AS ANTIVIRAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-05-13 EP disclosed
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-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed