SCHEMBL29643341

SCHEMBL29643341

C[C@@H](C(=O)O)N(C)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
SMPD2 O60906 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
AKR1B1 P15121 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39

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
SCHEMBL173510 1.00 SIGMAR1 (0.50) SIGMAR1SMPD2SLC6A2SLC6A4NR4A1
SCHEMBL7366363 1.00 SIGMAR1 (0.50) SIGMAR1SMPD2SLC6A2SLC6A4NR4A1
SCHEMBL29643326 1.00 SIGMAR1 (0.50) SIGMAR1SMPD2SLC6A2SLC6A4NR4A1
SCHEMBL173511 1.00 SIGMAR1 (0.50) SIGMAR1SMPD2SLC6A2SLC6A4NR4A1
SCHEMBL8803002 0.85 SIGMAR1 (0.49) SIGMAR1SMPD2SLC6A2SLC6A4NCEH1
SCHEMBL7563347 0.83 SMPD2 (0.49) SIGMAR1SMPD2SLC6A2SLC6A4NR4A1
SCHEMBL29643295 0.83 SIGMAR1 (0.50) SIGMAR1SLC6A2SLC6A4NCEH1
SCHEMBL4082840 0.82 SMPD2 (0.48) SIGMAR1SMPD2NR4A1NR4A2NR4A3
SCHEMBL1697074 0.82 SMPD2 (0.48) SIGMAR1SMPD2NR4A1NR4A2NR4A3
Leucine SCHEMBL28593704 0.82 SLC7A5 (0.40) SIGMAR1SMPD2SLC6A2SLC6A4

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-119367342-A CYP-eicosanoids analogs for treating or preventing diseases associated with neovascularization and/or inflammation 奥迈科斯治疗公司 2025-01-28 CN disclosed
CN-113121648-B N-methyl cyclic pentapeptide compound and synthesis method and application thereof 河北科技大学 2022-07-01 CN disclosed