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SCHEMBL6452254

SCHEMBL6452254

CCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL6452259 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6456338 0.93 RAB9A (0.32) CYP2C9
SCHEMBL6456344 0.93 RAB9A (0.32) CYP2C9
SCHEMBL6454996 0.92 RAB9A (0.31) CYP2C9MEN1KMT2A
SCHEMBL6454998 0.92 RAB9A (0.31) CYP2C9MEN1KMT2A
SCHEMBL6454419 0.91 SPHK1 (0.32) MAPT
SCHEMBL6457911 0.91 SPHK1 (0.32) MAPT
SCHEMBL6454415 0.91 SPHK1 (0.32) MAPT
SCHEMBL6457915 0.91 SPHK1 (0.32) MAPT
SCHEMBL6460295 0.91 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1

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