SCHEMBL7767490

SCHEMBL7767490

COCCNc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
KCNH3 Q9ULD8 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TRIM33 Q9UPN9 1/20 0.38
LDHA P00338 1/20 0.38
PDE4B Q07343 3/20 0.38
UTS2R Q9UKP6 2/20 0.37
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NCF1 P14598 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2210122 0.78
SCHEMBL23890604 0.74 HDAC3 (0.46) GAAADORA2AADORA1ADORA3ALDH1A1
SCHEMBL9216966 0.74 ALDH1A1 (0.40) SMN1; SMN2GAAALDH1A1KDM4EUTS2R
SCHEMBL9869417 0.74
SCHEMBL11497654 0.73 ALDH1A1 (0.45) SMN1; SMN2GAAADORA2AADORA1KCNH3
SCHEMBL2490268 0.73
Hydrochloric Acid SCHEMBL28933986 0.72 ALDH1A1 (0.39) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL9602501 0.72 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KDM4EALOX15HSD17B10
Hydrochloric Acid SCHEMBL9592766 0.71
SCHEMBL9601734 0.71 MAPT (0.40) SMN1; SMN2GAAADORA2AADORA1KCNH3

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
EP-0748814-B1 Novel aspartyldipeptideamide derivatives and sweetener AJINOMOTO KK (JP) 2001-06-13 EP disclosed
US-5795612-A Aspartyldipeptideamine derivatives and sweetner AJINOMOTO CO., INC. (JP) 1998-08-18 US disclosed
EP-0748814-A1 Novel aspartyldipeptideamide derivatives and sweetener Ajinomoto Co., Ltd. (JP) 1996-12-18 EP disclosed