SCHEMBL28032986

SCHEMBL28032986

COCCOC(=O)C=C1CC2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
SLC6A3 Q01959 4/20 0.35
SLC6A4 P31645 3/20 0.34
ESR2 Q92731 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPHX2 P34913 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27864843 0.86 ESR2 (0.43) SLC6A3SLC6A4ESR2LMNANPSR1
SCHEMBL29635938 0.86 ESR2 (0.43) SLC6A3SLC6A4ESR2LMNANPSR1
SCHEMBL31332791 0.83 SLC6A3 (0.42) SLC6A3SLC6A4TSHR
SCHEMBL27593184 0.79 MAPT (0.33) SLC6A3TSHREPHX2
SCHEMBL3703756 0.74 ESR2 (0.42) ESR2TSHRNPSR1
SCHEMBL3703757 0.74 ESR2 (0.42) ESR2TSHRNPSR1
SCHEMBL22552682 0.72 TSHR (0.48) SLC6A3SLC6A4TSHR
SCHEMBL20819995 0.72 TSHR (0.48) SLC6A3SLC6A4TSHR
SCHEMBL20819997 0.72 TSHR (0.48) SLC6A3SLC6A4TSHR
SCHEMBL27797705 0.71 EPHX2 (0.38) SLC6A3SLC6A4EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105440540-A INTERLAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH 2016-03-30 CN disclosed
CN-105038069-A GATE INSULATOR LAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH 2015-11-11 CN disclosed
CN-104877292-A Gate Insulator Layer For Organic Electronic Devices PROMERUS LLC 2015-09-02 CN disclosed