SCHEMBL5887923

SCHEMBL5887923

CC(C)(C)C(Oc1cccn2c(CC(C)(C)[N+](=O)[O-])cnc12)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.31
FDPS P14324 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30

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
SCHEMBL4718550 0.83 PLA2G1B (0.40) ALDH1A1HTT
SCHEMBL4714556 0.81 HTT (0.36) GGPS1FDPSPSEN1PSEN2APH1B
SCHEMBL4718724 0.79 ATP4A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4717663 0.77 GGPS1 (0.37) GGPS1FDPSALDH1A1
SCHEMBL4716769 0.76 FEN1 (0.36) GGPS1FDPS
SCHEMBL4720761 0.75 ROCK2 (0.39) ALDH1A1
SCHEMBL4717668 0.69 KDM4E (0.36) GGPS1FDPSALDH1A1
SCHEMBL4716835 0.68 GGPS1 (0.58) GGPS1FDPS
SCHEMBL4715662 0.68 NPC1 (0.41) ALDH1A1
SCHEMBL14290310 0.66 KDM4E (0.39) GGPS1FDPSPSEN1PSEN2APH1B

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
US-7071208-B2 β3 Adrenergic agonists ELI LILLY AND COMPANY (US) 2006-07-04 US disclosed