SCHEMBL11060450

SCHEMBL11060450

COC(=O)CCCCC(/C(C)=C/C(=O)O)[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
IARS1 P41252 1/20 0.51

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
SCHEMBL11426437 0.97 HTR2A (0.54) HTR2AIARS1
SCHEMBL19532799 0.75 IARS1 (0.84) HTR2AIARS1
SCHEMBL11413095 0.74 IARS1 (0.91) HTR2AIARS1
SCHEMBL11062889 0.73 IARS1 (0.58) HTR2AIARS1
SCHEMBL9043584 0.72 HTR2A (0.69) HTR2AIARS1
SCHEMBL31185688 0.72 HTR2A (0.69) HTR2AIARS1
SCHEMBL976362 0.69 HTR2A (0.78) HTR2AIARS1
SCHEMBL9863829 0.68 HTR2A (0.53) HTR2AIARS1
SCHEMBL19541395 0.68 IARS1 (0.73) HTR2AIARS1
Mupirocin SCHEMBL28656055 0.67 IARS1 (1.00) HTR2AIARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465689-A MONIC ACID ESTERS BEECHAM GROUP LIMITED (GB) 1984-08-14 US disclosed
US-4318856-A Antibacterial compounds BEECHAM GROUP LIMITED (GB) 1982-03-09 US disclosed
US-4289779-A HETEROCYCLIC ESTERS OF MONIC ACID; TREATMENT OF PENICILLIN-RESISTANT GONORRHEA BEECHAM GROUP LIMITED (GB) 1981-09-15 US disclosed
US-4283412-A MONIC ACID BEECHAM GROUP LIMITED (GB) 1981-08-11 US disclosed
US-4283411-A MONIC ACID BEECHAM GROUP LIMITED (GB) 1981-08-11 US disclosed
US-4267316-A HETEROCYCLIC ESTERS OF PSEUDOMONIC ACID; UROGENITAL DISORDERS; NEISSERIA; BRONCHIUS; VETERINARY MEDICINE BEECHAM GROUP LIMITED (GB) 1981-05-12 US disclosed
US-4256762-A ESTERS OF MONIC ACID BEECHAM GROUP LIMITED (GB) 1981-03-17 US disclosed
US-4256879-A BACTERICIDES, FURFURYLMETHYL, EPOXYPROPYL BEECHAM GROUP LIMITED (GB) 1981-03-17 US disclosed
US-4235784-A Antibacterial compounds BEECHAM GROUP LIMITED (GB) 1980-11-25 US disclosed
US-4217447-A Antibacterial compounds BEECHAM GROUP LIMITED (GB) 1980-08-12 US disclosed
US-4217448-A MONIC ACID DERIVATIVES BEECHAM GROUP LIMITED (GB) 1980-08-12 US disclosed
US-4166863-A ACTIVE AGAINST HEMOPHILUS AND NEISSERIA BEECHAM GROUP LIMITED (GB) 1979-09-04 US disclosed
US-4102901-A MONIC ACID ESTERS BEECHAM GROUP LIMITED (GB) 1978-07-25 US disclosed