SCHEMBL10686186

SCHEMBL10686186

O=C(O)CCCCC/C=C\CC1=CC(O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
F7 P08709 7/20 0.43
F3 P13726 7/20 0.43
PPARG P37231 5/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 5/20 0.43
CYP19A1 P11511 4/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 3/20 0.43
PTGS1 P23219 3/20 0.43
BLM P54132 3/20 0.43
FABP4 P15090 3/20 0.43
OXER1 Q8TDS5 2/20 0.43
KDM4E B2RXH2 2/20 0.43
FFAR1 O14842 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43

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
SCHEMBL1083220 0.94 TOP1 (0.47) ALDH1A1F7F3PPARGPPARD
SCHEMBL11451513 0.94 TOP1 (0.47) ALDH1A1F7F3PPARGPPARD
SCHEMBL1083217 0.94 TOP1 (0.47) ALDH1A1F7F3PPARGPPARD
SCHEMBL11573698 0.94 TOP1 (0.47) ALDH1A1F7F3PPARGPPARD
SCHEMBL17421815 0.94 TOP1 (0.47) ALDH1A1F7F3PPARGPPARD
SCHEMBL11234405 0.94 TOP1 (0.47) ALDH1A1F7F3PPARGPPARD
SCHEMBL11216573 0.84 TOP1 (0.35) TOP1TBXA2R
SCHEMBL11182020 0.82 TOP1 (0.33) TOP1
SCHEMBL13655741 0.80 CNR1 (0.36) ALDH1A1F7F3MAPTHPGD
SCHEMBL11106126 0.80 F13A1 (0.46) MAPTLMNAPTGS1PTGS2TSHR

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-4737590-A PROSTAGLANDIN INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1988-04-12 US disclosed
US-4439365-A TRIPHENYLMETHOXY ALKENYLMAGNESIUM HALIDES AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
US-4343949-A PROSTAGLANDIN REARRANGEMENTS AMERICAN CYANAMID COMPANY (US) 1982-08-10 US disclosed
US-4293704-A Novel 2-substituted-3,4-epoxycyclopentan-1-ones, 2-substituted-3,4-epoxycyclopentan-1-ols, and various 2-substituted-cyclopentenones AMERICAN CYANAMID COMPANY (US) 1981-10-06 US disclosed
US-4237316-A ISOMERIZATION OF PROSTAGLANDIN INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1980-12-02 US disclosed
US-4179574-A PROSTAGLANDIN INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1979-12-18 US disclosed
US-4123456-A BRONCHODILATORS, HYPOTENSIVES, ANTIULCER, ANTISECRETORY, MICROBIOCIDES, ANTICONVULSANTS, OXYTOCICS, ANALGESICS, DIURETICS, ANTIINFLAMMATORY, ANTICOAGULANTS AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed
US-4110368-A PROSTAGLANDINS, BRONCHODILATOR, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1978-08-29 US disclosed
US-4060540-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1977-11-29 US disclosed
US-4007210-A PROSTANOIC ACID DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1977-02-08 US disclosed
US-3966773-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-06-29 US disclosed
US-3932479-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed