SCHEMBL11124702

SCHEMBL11124702

C(SCc1ccccc1)=C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.43
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3185636 0.75 MAOB (0.32) MAOBIDO1NOS3NOS1NOS2
SCHEMBL8374190 0.69 MAOB (0.50) MAOBIDO1NOS3NOS1NOS2
SCHEMBL8374192 0.69 MAOB (0.50) MAOBIDO1NOS3NOS1NOS2
SCHEMBL8541497 0.69 MAOB (0.50) MAOBIDO1NOS3NOS1NOS2
SCHEMBL8374191 0.69 MAOB (0.50) MAOBIDO1NOS3NOS1NOS2
SCHEMBL28903554 0.67 DPP7 (0.53) DPP7MAOBSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9217999 0.66 MAOB (0.46) MAOBIDO1NOS3NOS1NOS2
SCHEMBL2723228 0.66 MAOB (0.46) MAOBIDO1NOS3NOS1NOS2
SCHEMBL3316547 0.66 MAOB (0.46) MAOBHTTIDO1NOS3NOS1
SCHEMBL4197455 0.66 MAOB (0.46) MAOBIDO1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043041-B1 PROCESS FOR PREPARING HIGH-VISCOSITY POLYCHLOROPRENE AND USE THEREOF AS RAW MATERIAL IN ADHESIVES BAYER AG (DE) 1984-05-23 EP disclosed