SCHEMBL28458808

SCHEMBL28458808

CCC(C)CCC(C(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
GABRR1 P24046 2/20 0.37
BHMT Q93088 1/20 0.36
BHMT2 Q9H2M3 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPEP Q07075 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3827018 0.81
SCHEMBL16845911 0.80 ACE2 (0.39) ACE2CA2GABRR1BHMTBHMT2
SCHEMBL22607233 0.77 ACE2 (0.41) ACE2CA2CA1GABRR1BHMT
SCHEMBL788117 0.77 CHRM1 (0.52) CA2CA1GABRR1CHRM1AKR1A1
SCHEMBL14701889 0.77 ACE2 (0.59) ACE2CA2GABRR1BHMTBHMT2
SCHEMBL7647512 0.77 CHRM1 (0.52) CA2CA1GABRR1CHRM1AKR1A1
SCHEMBL15062403 0.77 ACE2 (0.59) ACE2CA2GABRR1BHMTBHMT2
SCHEMBL7624643 0.77 CHRM1 (0.52) CA2CA1GABRR1CHRM1AKR1A1
SCHEMBL24072902 0.76 CA2 (0.59) ACE2CA2CA1CHRM1AKR1A1
SCHEMBL1199780 0.76 BHMT (0.60) BHMTBHMT2SLC1A3SLC1A2SLC1A1

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
CN-214597573-U Detachable pipeline precise filtering device for carbamyl methyl-5-methylhexanoic acid 江西金丰药业有限公司 2021-11-05 CN claimed
CN-211636431-U Automatic feeding device for carbamyl methyl-5-methylhexanoic acid 江西金丰药业有限公司 2020-10-09 CN claimed
CN-214597573-U Detachable pipeline precise filtering device for carbamyl methyl-5-methylhexanoic acid 江西金丰药业有限公司 2021-11-05 CN disclosed
CN-214597573-U Detachable pipeline precise filtering device for carbamyl methyl-5-methylhexanoic acid 江西金丰药业有限公司 2021-11-05 CN disclosed
CN-211645086-U Carbamoylmethyl-5-methylhexanoic acid distillation plant 江西金丰药业有限公司 2020-10-09 CN disclosed
CN-211645086-U Carbamoylmethyl-5-methylhexanoic acid distillation plant 江西金丰药业有限公司 2020-10-09 CN disclosed
CN-211636431-U Automatic feeding device for carbamyl methyl-5-methylhexanoic acid 江西金丰药业有限公司 2020-10-09 CN disclosed
CN-211636431-U Automatic feeding device for carbamyl methyl-5-methylhexanoic acid 江西金丰药业有限公司 2020-10-09 CN disclosed