SCHEMBL9162912

SCHEMBL9162912

CCCCC(C)(C)C(=O)CO[PH](=O)OCC(=O)C(C)(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PAM P19021 2/20 0.31
CES1 P23141 1/20 0.31
FAAH O00519 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ACAT1 P24752 1/20 0.30
SOAT1 P35610 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
SCHEMBL9162916 0.87 CES2 (0.33) CES2CYP4F2CYP4A11PAMCES1
SCHEMBL11149561 0.82 CES2 (0.39) CES2CES1FAAH
SCHEMBL9166845 0.81 ALDH1A1 (0.35) CYP4F2CYP4A11
SCHEMBL4979395 0.80 CES2 (0.46) CES2CES1FAAH
SCHEMBL5320670 0.77 FDPS (0.35) CES2CYP4F2CYP4A11PAMCES1
SCHEMBL10543798 0.76
SCHEMBL10545725 0.75 CES2 (0.35) CES2CYP4F2CYP4A11TSHR
SCHEMBL11509223 0.75 LMNA (0.31)
SCHEMBL11761617 0.74 CYP3A4 (0.42) CES2CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL7613472 0.74 CES2 (0.56) CES2CES1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107802623-B Difluorolactam compositions for EP 4-mediated bone-related diseases and disorders 开曼化学股份有限公司 2020-10-30 CN disclosed
CN-106748951-B Difluorolactam compounds as EP4 receptor selective agonists for use in the treatment of EP4 mediated diseases and conditions 开曼化学股份有限公司 2020-07-24 CN disclosed
US-5380709-A Prostaglandins E and anti ulcers containing same K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-01-10 US disclosed
US-4256911-A TRIFLUOROMETHYL-CARBOXY ESTERS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
US-4246426-A USEFUL IN INDUCING LABOR, TERMINATING PREGNANCY, TREATING GASTRIC HYPERACIDITY, WITH CARDIOVASCULAR AND BRONCHODILATOR EFFECTS HOFFMANN-LA ROCHE INC. (US) 1981-01-20 US disclosed
US-4237276-A CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY HOFFMANN-LA ROCHE INC. (US) 1980-12-02 US disclosed
US-4211724-A ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM HOFFMAN-LA ROCHE INC. (US) 1980-07-08 US disclosed
US-4190587-A PROSTAGLANDINS HOFFMANN-LA ROCHE INC. (US) 1980-02-26 US disclosed
US-4187381-A CARDIOVASCULAR AGENTS; OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4144251-A PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1979-03-13 US disclosed
US-4112225-A 16-CF3 prostaglandins HOFFMAN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US disclosed
US-3987081-A ALKYL DERIVATIVES OF PROSTANOIC ACIDS AND PREPARATION THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-19 US disclosed
US-3959263-A Prostaglandin intermediate AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-25 US disclosed