SCHEMBL6451969

SCHEMBL6451969

C=C[C@@H]1CC[C@@H]2CC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 2/20 0.33
GRIN2B Q13224 2/20 0.33
MAOB P27338 1/20 0.33
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.32
F2R P25116 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
GALR1 P47211 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
KIF11 P52732 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
P2RY14 Q15391 1/20 0.32
TEAD1 P28347 2/20 0.32
TEAD4 Q15561 2/20 0.32
TEAD2 Q15562 2/20 0.32
TEAD3 Q99594 2/20 0.32

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
SCHEMBL6451971 1.00 L3MBTL1 (0.40) L3MBTL1HRH3MEN1KMT2AKDM1A
SCHEMBL6453488 0.96 L3MBTL1 (0.38) L3MBTL1HRH3MEN1KMT2AKDM1A
SCHEMBL6453490 0.96 L3MBTL1 (0.38) L3MBTL1HRH3MEN1KMT2AKDM1A
SCHEMBL6458308 0.83 MEN1 (0.38) L3MBTL1HRH3MEN1KMT2AKDM1A
SCHEMBL6458304 0.83 MEN1 (0.38) L3MBTL1HRH3MEN1KMT2AKDM1A
SCHEMBL2851018 0.81 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AKDM1AGRIN2B
SCHEMBL2856098 0.81 L3MBTL1 (0.40) L3MBTL1HRH3MEN1KMT2AKDM1A
SCHEMBL6454428 0.81 PTGS2 (0.36) KDM1APTGS2
SCHEMBL6454430 0.81 PTGS2 (0.36) KDM1APTGS2
SCHEMBL6464028 0.81 HRH3 (0.37) L3MBTL1HRH3MEN1KMT2AKDM1A

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed