SCHEMBL11580984

SCHEMBL11580984

C[C@H](NCCC#N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.36
TSHR P16473 4/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MME P08473 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
MCL1 Q07820 2/20 0.31
MAPT P10636 1/20 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
SCHEMBL11581422 1.00 SLC1A2 (0.36) SLC1A2TSHRALDH1A1THRBHSD17B10
SCHEMBL5736275 1.00 SLC1A2 (0.36) SLC1A2TSHRALDH1A1THRBHSD17B10
SCHEMBL28886655 0.88 SLC1A2 (0.34) SLC1A2TSHRALDH1A1THRBHSD17B10
SCHEMBL6285285 0.80
SCHEMBL6285291 0.80
SCHEMBL11584243 0.80 SMN1; SMN2 (0.38) SLC1A2ALDH1A1HSD17B10CTSSCTSK
SCHEMBL5809120 0.80 SMN1; SMN2 (0.38) SLC1A2ALDH1A1HSD17B10CTSSCTSK
SCHEMBL20677353 0.79 TSHR (0.40) TSHRALDH1A1THRBHSD17B10MME
SCHEMBL14037307 0.79 TSHR (0.40) TSHRALDH1A1THRBHSD17B10MME
SCHEMBL29955590 0.79 HSD17B10 (0.34) TSHRALDH1A1THRBHSD17B10MME

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 US disclosed