SCHEMBL11568907

SCHEMBL11568907

N[C@@H](CSCC=CCSC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARG2 P78540 2/20 0.52
▸ ARG1 P05089 1/20 0.52
▸ NOS2 P35228 3/20 0.46
▸ NOS1 P29475 2/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ PTGS1 P23219 1/20 0.41
▸ SLC7A11 Q9UPY5 1/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BHMT Q93088 3/20 0.38
▸ GRIK1 P39086 5/20 0.38
▸ GRIK2 Q13002 5/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL358490 0.90 ARG2 (0.47) ARG2ARG1NOS2NOS1NOS3
SCHEMBL11564550 0.90 ARG2 (0.47) ARG2ARG1NOS2NOS1NOS3
SCHEMBL8081083 0.88 ARG2 (0.46) ARG2ARG1NOS2NOS1NOS3
SCHEMBL15795239 0.84 ARG1 (0.50) ARG2ARG1NOS2NOS1NOS3
SCHEMBL15795237 0.84 ARG1 (0.50) ARG2ARG1NOS2NOS1NOS3
SCHEMBL29393779 0.83 ARG1 (0.61) ARG2ARG1NOS2NOS1NOS3
SCHEMBL36933 0.83 ARG1 (0.61) ARG2ARG1NOS2NOS1NOS3
SCHEMBL36935 0.83 ARG1 (0.61) ARG2ARG1NOS2NOS1NOS3
SCHEMBL36934 0.83 ARG1 (0.61) ARG2ARG1NOS2NOS1NOS3
SCHEMBL29378137 0.83 ARG1 (0.61) ARG2ARG1NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139635-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1979-02-13 — — US disclosed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 — — US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 — — US disclosed
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