SCHEMBL6602446

SCHEMBL6602446

COCOC(=O)CCCCCO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PAM P19021 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DNM1 Q05193 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
SCHEMBL1990445 0.89 TSHR (0.50) DGKAPAMKDM4ELMNADUSP3
SCHEMBL7534986 0.86 GPR84 (0.52) DGKAGPR84FFAR1FFAR4PAM
SCHEMBL8454940 0.86 GPR84 (0.52) DGKAGPR84FFAR1FFAR4PAM
SCHEMBL11886036 0.86 GPR84 (0.52) DGKAGPR84FFAR1FFAR4PAM
SCHEMBL7774212 0.86 GPR84 (0.52) DGKAGPR84FFAR1FFAR4PAM
SCHEMBL25967079 0.86 ALDH1A1 (0.53) DGKAGPR84FFAR1FFAR4PAM
SCHEMBL27598468 0.84 TSHR (0.57) DGKAPAMLMNAMEN1KMT2A
SCHEMBL10001061 0.83 DGKA (0.59) DGKAGPR84FFAR1FFAR4PAM
SCHEMBL24609200 0.83 DGKA (0.69) DGKAPAMKDM4ELMNADUSP3
SCHEMBL11965460 0.83 DGKA (0.47) DGKAPAMKDM4ELMNADUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924210-B1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives WYETH K K (JP) 2004-08-18 EP disclosed
EP-0632039-B1 2-[1-(1,3-Thiazolin-2-yl)azetidin-3-yl]thio-carbapenem derivatives WYETH LEDERLE JAPAN LTD (JP) 2002-01-30 EP disclosed
EP-0924210-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1999-06-23 EP disclosed
US-5783703-A CARBAPENEM INTERMEDIATES LEDERLE (JAPAN), LTD. (JP) 1998-07-21 US disclosed
US-5679790-A ANTIBIOTICS, BACTERICIDES LEDERLE (JAPAN), LTD. (JP) 1997-10-21 US disclosed
US-5534510-A ORALLY ADMINISTRABLE THIENAMYCIN ANTIBIOTICS; BETA-LACTAMASE INHIBITORS LEDERLE (JAPAN), LTD. (JP) 1996-07-09 US disclosed
EP-0632039-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1995-01-04 EP disclosed