SCHEMBL9632062

SCHEMBL9632062

CCCCCCCCCCCCCCC(O)C(=O)C(O)C[N+](C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
FFAR1 O14842 2/20 0.55
PSMD14 O00487 2/20 0.45
PLA2G1B P04054 2/20 0.45
MMP2 P08253 2/20 0.45
ATG4B Q9Y4P1 2/20 0.45
HSP90AA1 P07900 1/20 0.45
RAD52 P43351 1/20 0.45
FFAR4 Q5NUL3 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL9630678 1.00 GPR84 (0.55) GPR84FFAR1PSMD14PLA2G1BMMP2
SCHEMBL9630727 1.00 GPR84 (0.55) GPR84FFAR1PSMD14PLA2G1BMMP2
SCHEMBL7045666 0.84 GPR84 (0.67) GPR84FFAR1FFAR4MAPT
SCHEMBL27721493 0.80 GPR84 (0.63) GPR84FFAR1FFAR4
SCHEMBL5447356 0.80 PSMD14 (0.63) GPR84FFAR1PSMD14PLA2G1BMMP2
SCHEMBL5440695 0.80 PSMD14 (0.63) GPR84FFAR1PSMD14PLA2G1BMMP2
Hydrochloric Acid SCHEMBL31426886 0.78 PSMD14 (0.67) GPR84FFAR1PSMD14PLA2G1BMMP2
Hydrochloric Acid SCHEMBL9626985 0.78 PSMD14 (0.67) GPR84FFAR1PSMD14PLA2G1BMMP2
Hydrochloric Acid SCHEMBL31472851 0.78 PSMD14 (0.67) GPR84FFAR1PSMD14PLA2G1BMMP2
Hydrochloric Acid SCHEMBL28423912 0.78 PSMD14 (0.67) GPR84FFAR1PSMD14PLA2G1BMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206947-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHOLINE ESTER SALTS FOR ENHANCING GASTROINTESTINAL TRACT ABSORPTION MERCK & CO. INC. (US) 1992-04-15 EP claimed
EP-0214898-B1 CHOLINE ESTERS AS ABSORPTION-ENHANCING AGENTS FOR DRUG DELIVERY THROUGH MUCOUS MEMBRANES OF THE NASAL, BUCCAL, SUBLINGUAL AND VAGINAL CAVITIES MERCK & CO. INC. (US) 1992-03-11 EP claimed
US-4973579-A VIRICIDES MERCK & CO., INC. (US) 1990-11-27 US claimed
US-4963556-A ANTIVIRAL AGENTS MERCK & CO., INC. (US) 1990-10-16 US claimed
US-4835138-A Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO., INC. (US) 1989-05-30 US claimed
US-4822773-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1989-04-18 US claimed
US-4729989-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1988-03-08 US claimed
US-4692441-A B-LACTAM ANTIBIOTICS MERCK & CO., INC. (US) 1987-09-08 US claimed
EP-0214898-A2 Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO. INC. (US) 1987-03-18 EP claimed
EP-0206947-A2 Pharmaceutical composition containing choline ester salts for enhancing gastrointestinal tract absorption MERCK & CO. INC. (US) 1986-12-30 EP claimed
EP-0206947-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHOLINE ESTER SALTS FOR ENHANCING GASTROINTESTINAL TRACT ABSORPTION MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0214898-B1 CHOLINE ESTERS AS ABSORPTION-ENHANCING AGENTS FOR DRUG DELIVERY THROUGH MUCOUS MEMBRANES OF THE NASAL, BUCCAL, SUBLINGUAL AND VAGINAL CAVITIES MERCK & CO. INC. (US) 1992-03-11 EP disclosed
US-4973579-A VIRICIDES MERCK & CO., INC. (US) 1990-11-27 US disclosed
US-4963556-A ANTIVIRAL AGENTS MERCK & CO., INC. (US) 1990-10-16 US disclosed
US-4835138-A Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO., INC. (US) 1989-05-30 US disclosed
US-4822773-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1989-04-18 US disclosed
US-4729989-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1988-03-08 US disclosed
US-4692441-A B-LACTAM ANTIBIOTICS MERCK & CO., INC. (US) 1987-09-08 US disclosed
EP-0214898-A2 Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO. INC. (US) 1987-03-18 EP disclosed
EP-0206947-A2 Pharmaceutical composition containing choline ester salts for enhancing gastrointestinal tract absorption MERCK & CO. INC. (US) 1986-12-30 EP disclosed