SCHEMBL6938856

SCHEMBL6938856

CCCCCCOc1ccc2c(c1)c(CC[C@H](CO[Si](C)(C)C(C)(C)C)n1cnc(C(N)=O)c1)cn2C

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.80
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34

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
SCHEMBL6935334 0.90 ADA (0.81) ADA
SCHEMBL6939869 0.89 ADA (1.00) ADA
SCHEMBL6942581 0.89 ADA (0.81) ADA
SCHEMBL6938182 0.87 ADA (0.69) ADA
SCHEMBL6936287 0.87 ADA (0.95) ADA
SCHEMBL6940660 0.86 ADA (0.58) ADA
SCHEMBL6938860 0.86 ADA (0.72) ADAS1PR4S1PR1S1PR3S1PR5
SCHEMBL6935332 0.83 ADA (0.57) ADA
SCHEMBL6941256 0.83 ADA (0.80) ADA
SCHEMBL7846259 0.83 ADA (0.55) ADA

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed