SCHEMBL13448062

SCHEMBL13448062

CN[C@H](CCCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.39
▸ NOS2 P35228 4/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ IDUA P35475 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.31
▸ GGH Q92820 1/20 0.31

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
SCHEMBL16446180 1.00 FOLH1 (0.39) FOLH1NOS2NOS1NOS3CYP1A2
SCHEMBL27041677 0.87 GGH (0.33) FOLH1BLMGGH
SCHEMBL27041682 0.87 GGH (0.33) FOLH1BLMGGH
SCHEMBL14950991 0.86 FOLH1 (0.32) FOLH1NOS2NOS1NOS3CYP1A2
SCHEMBL15706851 0.86 FOLH1 (0.32) FOLH1NOS2NOS1NOS3CYP1A2
SCHEMBL24012407 0.83 CNR2 (0.32) FOLH1CNR2
SCHEMBL24012402 0.83 CNR2 (0.32) FOLH1CNR2
SCHEMBL14946315 0.81 FOLH1 (0.41) FOLH1TSHRALBNOD1
SCHEMBL13445978 0.81 ALB (0.41) FOLH1ALBNOD1
SCHEMBL24630046 0.79 NOD1 (0.48) FOLH1ALBNOD1

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
WO-2010034029-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-03-25 — — WO disclosed
WO-2010034028-A1 PEPTIDOMIMETIC MARCROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-03-25 — — WO disclosed
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