SCHEMBL4780585

SCHEMBL4780585

CCNCOOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 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
SCHEMBL23337044 0.72
SCHEMBL28109478 0.72
SCHEMBL325976 0.67
SCHEMBL31194320 0.64
SCHEMBL28514773 0.64 TSHR (0.50) TSHRTDP1
SCHEMBL28519072 0.64 TSHR (0.50) TSHRTDP1
SCHEMBL754926 0.63
Propane SCHEMBL297421 0.62 TSHR (0.73) TSHRTDP1
SCHEMBL3146161 0.61
SCHEMBL28936219 0.61 TSHR (0.47) TSHRTDP1

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
EP-2877470-B1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V (DE) 2017-09-13 EP disclosed
WO-2008025796-A1 BIAXIALLY ORIENTED ELECTRICAL INSULATING FILM TREOFAN GERMANY GMBH & CO. KG (DE) 2008-03-06 WO disclosed