SCHEMBL20636766

SCHEMBL20636766

CC(=O)OC(=O)C(N)CCN

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
RRM1 P23921 1/20 0.37
GABRR1 P24046 2/20 0.37
GSR P00390 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
GABBR2 O75899 2/20 0.31
GABBR1 Q9UBS5 2/20 0.31

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
SCHEMBL535529 0.88 GSR (0.45) DPP7ALDH1A1TSHRGSRDPP8
SCHEMBL7112527 0.86 GSR (0.53) DPP7TSHRGSRDPP8DPP9
SCHEMBL124168 0.86 GSR (0.53) DPP7TSHRGSRDPP8DPP9
Water SCHEMBL28009501 0.84 GSR (0.52) DPP7GSRDPP8DPP9
Hydrochloric Acid SCHEMBL27742346 0.83 GSR (0.50) DPP7GSRDPP8DPP9
SCHEMBL28363179 0.83 SLC1A2 (0.39) DPP7ALDH1A1TSHRDPP8DPP9
SCHEMBL1396066 0.83 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL4439365 0.81 ANPEP (0.36) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL4702268 0.81 DPP7 (0.41) DPP7RRM1GABRR1GSRDPP8
SCHEMBL5974502 0.80 GABRR1 (0.33) ALDH1A1TSHRGABRR1LMNAGABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781122-B2 Ectoine-producing yeast GIVAUDAN SA (CH) 2023-10-10 US disclosed
EP-3652323-B1 ECTOINE-PRODUCING YEAST GIVAUDAN SA (CH) 2023-09-06 EP disclosed
US-20210222136-A1 ECTOINE-PRODUCING YEAST GIVAUDAN SA (CH) 2021-07-22 US disclosed
EP-3652323-A1 ECTOINE-PRODUCING YEAST Alderys (FR) 2020-05-20 EP disclosed
CN-110914435-A Yeast producing ectoin 阿尔德里斯公司 2020-03-24 CN disclosed
EP-3558287-A2 N-ACETYLDIAMINOBUTYRIC ACID-CONTAINING COMPOSITION Bitop AG (DE) 2019-10-30 EP disclosed
WO-2019011947-A1 ECTOINE-PRODUCING YEAST ALDERYS (FR) 2019-01-17 WO disclosed
EP-3428282-A1 ECTOINE-PRODUCING YEAST Alderys (FR) 2019-01-16 EP disclosed