SCHEMBL17205377

SCHEMBL17205377

CCCCCCCCC=CCCCCCCCCOCC(C)(N)COCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.45
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
CES1 P23141 1/20 0.43
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL17205375 1.00 LPAR1 (0.45) LPAR1LPAR3LPAR2CES1FAAH
SCHEMBL21219356 0.95 ALDH1A1 (0.46)
SCHEMBL18770581 0.95 ALDH1A1 (0.46)
SCHEMBL18770582 0.95 ALDH1A1 (0.46)
SCHEMBL18770788 0.95 ALDH1A1 (0.46)
SCHEMBL20548037 0.95 ALDH1A1 (0.46)
SCHEMBL17366573 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2CES1FAAH
SCHEMBL25762061 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2CES1FAAH
SCHEMBL20580329 0.85 ALDH1A1 (0.46)
SCHEMBL29286069 0.82 LPAR1 (0.45) LPAR1LPAR3LPAR2CES1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3641810-A1 HERPES SIMPLEX VIRUS VACCINE Modernatx, Inc. (US) 2020-04-29 EP disclosed
EP-3538146-A2 INFLUENZA VACCINE ModernaTX, Inc. (US) 2019-09-18 EP disclosed
WO-2018200737-A1 HERPES SIMPLEX VIRUS VACCINE MODERNATX, INC. (US) 2018-11-01 WO disclosed
WO-2018175783-A1 RNA BACTERIAL VACCINES MODERNATX, INC. (US) 2018-09-27 WO disclosed
EP-3364982-A2 SEXUALLY TRANSMITTED DISEASE VACCINES ModernaTX, Inc. (US) 2018-08-29 EP disclosed
EP-3364983-A2 RESPIRATORY VIRUS VACCINES ModernaTX, Inc. (US) 2018-08-29 EP disclosed
EP-3365008-A1 RESPIRATORY SYNCYTIAL VIRUS VACCINE ModernaTX, Inc. (US) 2018-08-29 EP disclosed
EP-3365007-A2 BROAD SPECTRUM INFLUENZA VIRUS VACCINE ModernaTX, Inc. (US) 2018-08-29 EP disclosed
WO-2018089851-A2 INFLUENZA VACCINE MODERNATX, INC. (US) 2018-05-17 WO disclosed
WO-2017070622-A1 RESPIRATORY SYNCYTIAL VIRUS VACCINE MODERNATX, INC. (US) 2017-04-27 WO disclosed
WO-2017070616-A2 SEXUALLY TRANSMITTED DISEASE VACCINES MODERNATX, INC. (US) 2017-04-27 WO disclosed
WO-2017070620-A2 BROAD SPECTRUM INFLUENZA VIRUS VACCINE MODERNATX, INC. (US) 2017-04-27 WO disclosed
EP-3134131-A1 NUCLEIC ACID VACCINES ModernaTX, Inc. (US) 2017-03-01 EP disclosed
WO-2015164674-A1 NUCLEIC ACID VACCINES MODERNA THERAPEUTICS, INC. (US) 2015-10-29 WO disclosed