SCHEMBL8002118

SCHEMBL8002118

CCCCCCCCCCCCCCCC(=O)ONC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.46
LMNA P02545 3/20 0.43
CNR2 P34972 1/20 0.43
PAM P19021 2/20 0.42
CTSK P43235 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
DNM1 Q05193 1/20 0.39
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL20503257 1.00 DGKA (0.46) DGKALMNACNR2PAMCTSK
SCHEMBL30516551 1.00 DGKA (0.46) DGKALMNACNR2PAMCTSK
SCHEMBL31088250 1.00 DGKA (0.46) DGKALMNACNR2PAMCTSK
SCHEMBL4653239 0.98 DGKA (0.43) DGKALMNACNR2PAMCTSK
SCHEMBL1638343 0.93 CTSK (0.43) DGKACNR2CTSKTDP1CES2
SCHEMBL7284817 0.86 DGKA (0.47) DGKAMAPTDNM1ALDH1A1NAAA
SCHEMBL377844 0.86 ALDH1A1 (0.41) CTSKTDP1ALDH1A1
SCHEMBL28651273 0.85 HDAC4 (0.40) CTSKTSHRTDP1
SCHEMBL9005847 0.84 CES2 (0.46) CTSKTDP1CES2CES1
SCHEMBL9752887 0.83 TDP1 (0.37) CTSKTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015564-A POLYPEPTIDES WITH FATTY ACID AND STEROIDS INSTITUT PASTEUR DE LILLE (FR) 2000-01-18 US disclosed
US-5993823-A BETWEEN 10 AND 40 AMINO ACIDS AND AT LEAST ONE ANTIGENIC DETERMINANT, ALSO COMPRISING A CHAIN FROM PIMELAUTIDE, TRIMEXAUTIDE, HEXADECANOIC ACID, 2-AMINO-HEXADECANOIC ACID, STEROID GROUPS AND DERIVATIVES THEREOF INSTITUT PASTEUR DE LILLE (FR) 1999-11-30 US disclosed
US-5871746-A FOR IMMUNIZING AGAINST PATHOGENIC AGENTS SUCH AS VIRUSES ORPARASITES; ONE OR MORE CHAINS DERIVED FROM FATTY ACIDS OR MODIFIED STEROID GROUPS INSTITUT NATIONAL DE LA SAINTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-02-16 US disclosed