SCHEMBL483936

SCHEMBL483936

COC(=O)C1=C2CCC(C2)C1.N#CC1=C2CCC(C2)C1C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3926281 0.80 SLC6A3 (0.36)
SCHEMBL1303333 0.80 SLC6A3 (0.36)
SCHEMBL28243948 0.68 ALDH1A1 (0.40) TSHR
SCHEMBL601986 0.67
SCHEMBL3248367 0.65 ACHE (0.39)
SCHEMBL7620048 0.64 KDM4E (0.43) TSHR
SCHEMBL27628712 0.63 ALDH1A1 (0.32)
SCHEMBL19946655 0.62
SCHEMBL11511270 0.61
SCHEMBL604282 0.60

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-1894851-B1 DUPLEX-CHAMBER PACKAGE FUJIMORI KOGYO CO LTD (JP) 2012-02-01 EP disclosed
EP-1894851-A1 DUPLEX-CHAMBER PACKAGE FUJIMORI KOGYO CO., LTD. (JP) 2008-03-05 EP disclosed