SCHEMBL14189092

SCHEMBL14189092

NC(Cc1cccc2c1C=CCC2)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.43
▸ NOS1 P29475 4/20 0.43
▸ NOS2 P35228 4/20 0.43
▸ PKM P14618 2/20 0.41
▸ SLC7A5 Q01650 2/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ MPO P05164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL5325590 0.86 NOS3 (0.44) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL9813612 0.74 CYP1A2 (0.37) MAPTMEN1LMNAKMT2ATSHR
SCHEMBL1941679 0.73 NOS3 (0.49) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL1941677 0.73 NOS3 (0.49) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL5326842 0.72 GRIK1 (0.37) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL13958441 0.72 KMT2A (0.45) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL23615876 0.71 TAAR1 (0.38) MAPTPMP22MPOCYP3A4NFKB1
SCHEMBL13971424 0.71 SLC7A5 (0.69) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL9164980 0.71 SLC7A5 (0.69) NOS3NOS1NOS2PKMSLC7A5
SCHEMBL2267134 0.70 NOS3 (0.43) NOS3NOS1NOS2PKMSLC7A5

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-20080146496-A1 Novel Melanocortin Receptor Templates, Peptides, and Use Thereof HASKELL-LUEVANO CARRIE 2008-06-19 — — US disclosed
US-20080146779-A1 Novel Melanocortin Receptor Templates, Peptides, and Use Thereof HASKELL-LUEVANO CARRIE 2008-06-19 — — US disclosed
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