SCHEMBL8008745

SCHEMBL8008745

Cc1cc(CC(C)(C)C)nc(CC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.40
NOS3 P29474 6/20 0.40
NOS1 P29475 8/20 0.38
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15498161 0.85 NOS2 (0.62) NOS2NOS3NOS1
SCHEMBL8019875 0.78 GABRA1 (0.37) TSHR
SCHEMBL15498160 0.73 UHRF1 (0.46) NOS2NOS3NOS1ALDH1A1
SCHEMBL20201756 0.72 ESR1 (0.31)
SCHEMBL21325539 0.72 GRN (0.32)
SCHEMBL2476938 0.72 KCNH2 (0.41) NOS2NOS1
SCHEMBL28416688 0.72 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL18501679 0.72 HMGCR (0.32)
SCHEMBL6464978 0.70 NOS2 (0.70) NOS2NOS3NOS1
SCHEMBL16673269 0.70 ESR1 (0.44) ALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087461-A SILANE COMPOUNDS AND ENDBLOCKING POLYMERS DOW CORNING LIMITED (GB) 2000-07-11 US disclosed
EP-0887358-A1 Process for making silyl endblocked organic polymers DOW CORNING LIMITED (GB) 1998-12-30 EP disclosed