SCHEMBL29634832

SCHEMBL29634832

CCCC[C@H](C)[C@@H](CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
SLC1A3 P43003 1/20 0.43
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
CA1 P00915 1/20 0.39
FFAR1 O14842 1/20 0.39
GABRR1 P24046 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC15A1 P46059 1/20 0.38

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
SCHEMBL4988105 1.00 CA2 (0.45) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4984284 0.89 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4987706 0.88 CHRM1 (0.44) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8421695 0.85 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL28570001 0.83 CA2 (0.48) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4470713 0.83 CA2 (0.54) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL6431145 0.83 CA2 (0.54) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL27610235 0.82 ALDH1A1 (0.54) CA2MAPK1SLC1A2SLC1A1ACE2
SCHEMBL986357 0.80 GPR84 (0.53) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL9955627 0.80 GPR84 (0.53) CA2MAPK1ACE2GPR84FFAR1

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-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 CN disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed