SCHEMBL818433

SCHEMBL818433

C=C(CC1CCNCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
MAOB P27338 6/20 0.42
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOA P21397 5/20 0.40
KDM1A O60341 3/20 0.40
HRH1 P35367 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SLC6A4 P31645 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
SCHEMBL817621 0.90 SLC6A1 (0.49) GBA1MAOBMAOAKDM1AKMT2A
SCHEMBL818715 0.83 GBA1 (0.47) GBA1MAOBSLC18A3SIGMAR1MAOA
SCHEMBL818252 0.80 KMT2A (0.57) KMT2ASLC6A4
SCHEMBL3309515 0.79 MAOB (0.56) GBA1MAOBMAOAKMT2AMEN1
Hydrochloric Acid SCHEMBL28328120 0.77 MAOB (0.55) GBA1MAOBMAOAKMT2AITGB3
SCHEMBL2580458 0.77 GBA1 (0.49) GBA1MAOBSLC18A3SIGMAR1MAOA
SCHEMBL817344 0.77 KMT2A (0.57) GBA1MAOBKDM1AKMT2AITGB3
SCHEMBL19596238 0.72 MEN1 (0.45) GBA1MAOBSLC18A3SIGMAR1MAOA
SCHEMBL5427330 0.72 GABRA5 (0.45) GBA1MAOBMAOAITGB3ITGA2B
SCHEMBL12064486 0.72 HRH3 (0.46) GBA1SLC18A3SIGMAR1HRH1KMT2A

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
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed