SCHEMBL11062889

SCHEMBL11062889

COC(=O)CCCCCOC(=O)C/C(C)=C/[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 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 5/20 0.58
HTR2A P28223 1/20 0.58
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19532799 0.82 IARS1 (0.84) IARS1HTR2ACYP3A4MAPTCYP2C9
SCHEMBL11060280 0.82 IARS1 (0.84) IARS1HTR2ACYP3A4MAPTCYP2C9
SCHEMBL11413095 0.80 IARS1 (0.91) IARS1HTR2A
SCHEMBL19541395 0.76 IARS1 (0.73) IARS1HTR2A
Mupirocin SCHEMBL14616863 0.73 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL13011210 0.73 IARS1 (1.00) IARS1HTR2A
SCHEMBL11060450 0.73 HTR2A (0.51) IARS1HTR2A
Mupirocin SCHEMBL14022405 0.73 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL17731888 0.73 IARS1 (0.98) IARS1HTR2A
Mupirocin SCHEMBL3531900 0.73 IARS1 (0.98) IARS1HTR2A

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 12 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-4289779-A HETEROCYCLIC ESTERS OF MONIC ACID; TREATMENT OF PENICILLIN-RESISTANT GONORRHEA BEECHAM GROUP LIMITED (GB) 1981-09-15 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-4237161-A BRONCHITIS AND VENERAL DISEASE BEECHAM GROUP LIMITED (GB) 1980-12-02 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