SCHEMBL29138980

SCHEMBL29138980

C=C(C)CCNC(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TGFBR1 P36897 1/20 0.33
MME P08473 2/20 0.33
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
FAAH O00519 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL3713828 0.80 CYP1A2 (0.44) ALDH1A1TSHRTHRBHSD17B10CYP1A2
SCHEMBL88209 0.80 CYP1A2 (0.44) ALDH1A1TSHRTHRBHSD17B10CYP1A2
SCHEMBL14037307 0.79 TSHR (0.40) ALDH1A1TSHRTHRBHSD17B10MME
SCHEMBL20677353 0.79 TSHR (0.40) ALDH1A1TSHRTHRBHSD17B10MME
SCHEMBL2561637 0.78 TGFBR1 (0.35) ALDH1A1TSHRTHRBTGFBR1MME
SCHEMBL10879686 0.78 TGFBR1 (0.35) ALDH1A1TSHRTHRBTGFBR1MME
SCHEMBL31000621 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTHRBHSD17B10MME
SCHEMBL10596065 0.76 TSHR (0.38) ALDH1A1TSHRTHRBHSD17B10MME
SCHEMBL23748061 0.75 GABRR1 (0.40) ALDH1A1TSHRTHRBHSD17B10MME
SCHEMBL20814002 0.75 TSHR (0.48) ALDH1A1TSHRTHRBHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402784-B Paenibacillus polymyxa Mxdg-1, microbial inoculum and application thereof 甘肃省科学院生物研究所 2024-04-12 CN disclosed
CN-117551569-B Arthrobacter oxydans dgyhj-1, microbial inoculum and application thereof 甘肃省科学院生物研究所 2024-04-05 CN disclosed
CN-117551569-A Arthrobacter oxydans dgyhj-1, microbial inoculum and application thereof 甘肃省科学院生物研究所 2024-02-13 CN disclosed
CN-117402784-A Paenibacillus polymyxa Mxdg-1, microbial inoculum and application thereof 甘肃省科学院生物研究所 2024-01-16 CN disclosed