SCHEMBL28856641

SCHEMBL28856641

COC(=O)C(N)CC(C)C.N=C=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
ANPEP P15144 3/20 0.40
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 1/20 0.40
MME P08473 2/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
CA14 Q9ULX7 1/20 0.35
FOLH1 Q04609 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
LARS1 Q9P2J5 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
BIRC2 Q13490 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2489676 1.00 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPMME
SCHEMBL2491591 1.00 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPMME
Isothiocyanate SCHEMBL2490540 0.91 SLC7A5 (0.45) SLC7A5ANPEPRNPEPDNPEPMME
SCHEMBL700933 0.90 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPMME
SCHEMBL196338 0.90 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPMME
SCHEMBL76796 0.90 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPMME
SCHEMBL29783468 0.90 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPMME
Hydrochloric Acid SCHEMBL353346 0.88 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPMME
Hydrochloric Acid SCHEMBL76795 0.88 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPMME
Hydrochloric Acid SCHEMBL355415 0.88 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115190901-A Carbodiimide composition, curing agent composition, coating composition, and resin cured product 旭化成株式会社 2022-10-14 CN disclosed
CN-110698825-A Process for preparing high-toughness biodegradable composite material by utilizing loofah sponge fibers and PLA 河南功能高分子膜材料创新中心有限公司 2020-01-17 CN disclosed