SCHEMBL3125271

SCHEMBL3125271

CCCSSSSSSSCCC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL11852579 1.00 TDP1 (0.30) TDP1NOS3NOS1NOS2
SCHEMBL9009501 1.00 TDP1 (0.30) TDP1NOS3NOS1NOS2
SCHEMBL112636 0.96 TDP1 (0.32) TDP1NOS3NOS1NOS2
SCHEMBL28227140 0.92 TDP1 (0.30) TDP1NOS3NOS1NOS2
SCHEMBL15686217 0.90
SCHEMBL15679295 0.90
SCHEMBL564543 0.88
SCHEMBL19741427 0.87 TSHR (0.33) NOS3NOS1NOS2
SCHEMBL15679334 0.86
SCHEMBL14093899 0.85

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-2010009091-A2 ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE HERBALSCIENCE GROUP, LLC (US) 2010-01-21 WO disclosed
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed