SCHEMBL11575012

SCHEMBL11575012

CCCCCCCCCCCCCCSCCC(N)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.70
BHMT2 Q9H2M3 1/20 0.59
NOS2 P35228 2/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
SLC1A3 P43003 1/20 0.47
CES2 O00748 1/20 0.47
NOD1 Q9Y239 1/20 0.47

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
SCHEMBL2367837 1.00 BHMT (0.70) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL18832139 1.00 BHMT (0.70) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL2367840 1.00 BHMT (0.70) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL18832141 1.00 BHMT (0.70) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL18832137 1.00 BHMT (0.70) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL18832133 0.98 BHMT (0.69) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL60520 0.93 BHMT (0.66) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL4955426 0.93 BHMT (0.66) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1285565 0.93 BHMT (0.66) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL28042282 0.89 BHMT (0.60) BHMTBHMT2NOS2NOS3NOS1

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