SCHEMBL7416094

SCHEMBL7416094

CN1CCN(Cc2cccc(OCC(=O)O)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.62
ITGA2B P08514 2/20 0.62
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
SIGMAR1 Q99720 1/20 0.55
FAAH O00519 3/20 0.54
MC4R P32245 1/20 0.53
HRH2 P25021 1/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL13293358 0.86 ITGB3 (0.61) ITGB3ITGA2BGAAFAAHHRH2
SCHEMBL7422613 0.84 ALDH1A1 (0.65) ITGB3ITGA2BLMNAALDH1A1GAA
SCHEMBL13577671 0.82 GAA (0.65) LMNAALDH1A1GAAFAAHHRH2
SCHEMBL7425219 0.80 SIGMAR1 (0.52) LMNAALDH1A1GAASIGMAR1FAAH
SCHEMBL7425223 0.80 SIGMAR1 (0.52) LMNAALDH1A1GAASIGMAR1FAAH
SCHEMBL23419791 0.80 SMN1; SMN2 (0.65) ALDH1A1GAAFAAHNPC1RAB9A
SCHEMBL3037921 0.80 HRH3 (0.65) ITGB3ITGA2BALDH1A1FAAHKDM4E
SCHEMBL18177893 0.79 ALDH1A1 (0.78) LMNAALDH1A1GAASIGMAR1FAAH
SCHEMBL10222154 0.79 MC4R (0.60) ITGB3ITGA2BLMNAALDH1A1SIGMAR1
SCHEMBL15858108 0.79 MC4R (0.60) LMNAALDH1A1SIGMAR1MC4RKDM4E

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
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed