SCHEMBL6455472

SCHEMBL6455472

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C(F)(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.36
CYP11B2 P19099 16/20 0.36
KDM1A O60341 1/20 0.35
FASN P49327 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL6450768 1.00 CYP11B1 (0.36) CYP11B1CYP11B2KDM1AFASNGAA
SCHEMBL6450770 1.00 CYP11B1 (0.36) CYP11B1CYP11B2KDM1AFASNGAA
SCHEMBL6455475 1.00 CYP11B1 (0.36) CYP11B1CYP11B2KDM1AFASNGAA
SCHEMBL6453439 0.99 CYP11B1 (0.37) CYP11B1CYP11B2KDM1AFASN
SCHEMBL6453446 0.99 CYP11B1 (0.37) CYP11B1CYP11B2KDM1AFASN
SCHEMBL6460644 0.96 CYP11B1 (0.37) CYP11B1CYP11B2KDM1AFASN
SCHEMBL6460641 0.96 CYP11B1 (0.37) CYP11B1CYP11B2KDM1AFASN
SCHEMBL6454455 0.92 CYP11B1 (0.38) CYP11B1CYP11B2KDM1AFASN
SCHEMBL6454452 0.92 CYP11B1 (0.38) CYP11B1CYP11B2KDM1AFASN
SCHEMBL6461100 0.90 KIF11 (0.38) CYP11B1CYP11B2KDM1AGAAMAPT

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