SCHEMBL8444553

SCHEMBL8444553

O=C1OC[C@H]2CCCC[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL16116751 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL13253702 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715180 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL47305 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL728783 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL13618315 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL6383420 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715354 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL21500482 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715355 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759899-B2 Recyclable polymers based on ring-fused gamma-butyrolactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-09-01 US disclosed
US-20190040191-A1 RECYCLABLE POLYMERS BASED ON RING-FUSED GAMMA-BUTYROLACTONES NATIONAL SCIENCE FOUNDATION 2019-02-07 US disclosed
EP-1724260-B1 Process for the synthesis of (2S, 3aR, 7aS)octahydroindole-2-carboxylic acid and its conversion to trandolapril SOCHINAZ SA (CH) 2008-02-20 EP disclosed
EP-1724260-A1 Process for the synthesis of ¬2S, 3aR, 7aS|-octahydroindole-2-carboxylic acid and its conversion to trandolapril Sochinaz SA (CH) 2006-11-22 EP disclosed