SCHEMBL16024546

SCHEMBL16024546

NC(=O)C(N)CSCCC=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.39
▸ ARG2 P78540 1/20 0.39
▸ NOS2 P35228 3/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.33
▸ BHMT Q93088 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
SCHEMBL16059504 0.84 ARG1 (0.56) ARG1ARG2NOS2NOS1NOS3
SCHEMBL24311808 0.79 NOS2 (0.33) ARG1ARG2NOS2NOS1NOS3
SCHEMBL24311674 0.79 NOS2 (0.33) ARG1ARG2NOS2NOS1NOS3
SCHEMBL25678741 0.75 ARG1 (0.46) ARG1ARG2NOS2NOS1NOS3
SCHEMBL8024940 0.75 NOS2 (0.44) ARG1ARG2NOS2NOS1NOS3
SCHEMBL13651497 0.73 NOS2 (0.33) ARG1ARG2NOS2NOS1NOS3
SCHEMBL16061606 0.73 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
SCHEMBL14005786 0.72 NOS2 (0.44) ARG1ARG2NOS2NOS1NOS3
SCHEMBL14376615 0.72 EPHX1 (0.52) ARG1ARG2NOS2NOS1NOS3
SCHEMBL7977238 0.72 NOS2 (0.33) ARG1ARG2NOS2NOS1NOS3

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-2016116887-A1 POLY(BETA-AMINO ESTER)S WITH ADDITIVES FOR DRUG DELIVERY SAGETIS BIOTECH, S.L. (ES) 2016-07-28 — — WO disclosed
WO-2014136100-A1 MODIFIED POLY(BETA-AMINO ESTER)S FOR DRUG DELIVERY INSTITUT QUÍMIC DE SARRIÀ CETS FUNDACIÓ PRIVADA (ES) 2014-09-12 — — WO disclosed
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