Sugi Predict

Sugi Predict / Compounds / SCHEMBL6460345

SCHEMBL6460345

SCHEMBL6460345

CC1CCC2CC(c3ccc(-c4ccc(C(F)(F)F)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.41
▸ FASN P49327 1/20 0.38
▸ CYP11B1 P15538 12/20 0.38
▸ CYP11B2 P19099 12/20 0.38
▸ KIF11 P52732 5/20 0.35
▸ PTGS2 P35354 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
SCHEMBL6460338 1.00 KDM1A (0.41) KDM1AFASNCYP11B1CYP11B2KIF11
SCHEMBL6455711 0.88 KIF11 (0.44) KDM1ACYP11B1CYP11B2KIF11PTGS2
SCHEMBL6455714 0.88 KIF11 (0.44) KDM1ACYP11B1CYP11B2KIF11PTGS2
SCHEMBL6457504 0.87 FASN (0.39) KDM1AFASN
SCHEMBL6457509 0.87 FASN (0.39) KDM1AFASN
SCHEMBL6455881 0.86 APP (0.41) FASNKIF11
SCHEMBL6455885 0.86 APP (0.41) FASNKIF11
SCHEMBL6458116 0.86 KDM1A (0.39) KDM1AFASNCYP11B1CYP11B2KIF11
SCHEMBL6458120 0.86 KDM1A (0.39) KDM1AFASNCYP11B1CYP11B2KIF11
SCHEMBL6454455 0.84 CYP11B1 (0.38) KDM1AFASNCYP11B1CYP11B2

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