SCHEMBL638405

SCHEMBL638405

Cc1c(C(=O)O)ccc2c1nc(C)n2COCC[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.44
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.35

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
SCHEMBL3059529 0.79 NPC1 (0.40) PTGER4NPC1MAPT
SCHEMBL2749549 0.76 HSD17B10 (0.52) PTGER4NPC1
SCHEMBL2750918 0.74 NPC1 (0.44) PTGER4NPC1MAPT
SCHEMBL31638946 0.73 NPC1 (0.42) NPC1MAPT
Dimethylamine SCHEMBL6021489 0.73 NPC1 (0.37) NPC1MAPT
SCHEMBL31085038 0.71 KDM4E (0.50) NPC1MAPT
SCHEMBL30938916 0.71 ESR2 (0.36) PTGER4NPC1MAPT
SCHEMBL30938860 0.70 PTGER4 (0.36) PTGER4NPC1MAPT
SCHEMBL19023458 0.70 BRD4 (0.44) NPC1MAPT
SCHEMBL20028655 0.70 NPC1 (0.40) NPC1

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-8119648-B2 Arthritis, obesity, (non-insulin dependent) diabetes calcitonin-induced osteoporosis; administering allograft transplantation; dipeptidyl peptidase-IV (DPP-IV) inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-02-21 US disclosed