SCHEMBL6455441

SCHEMBL6455441

CCOC1CCC(C2CCC3CC(c4cc(F)c(F)c(F)c4)CCC3C2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
HCRTR2 O43614 3/20 0.30

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
SCHEMBL6455437 1.00 KDM1A (0.31) KDM1AHCRTR2
SCHEMBL7879577 0.93 KDM1A (0.32) KDM1A
SCHEMBL7879582 0.93 KDM1A (0.32) KDM1A
SCHEMBL6453419 0.82 KDM1A (0.31) KDM1A
SCHEMBL6453424 0.82 KDM1A (0.31) KDM1A
SCHEMBL6451991 0.81 SLC6A3 (0.36) KDM1AHCRTR2
SCHEMBL6451988 0.81 SLC6A3 (0.36) KDM1AHCRTR2
SCHEMBL14228603 0.80 ESR2 (0.33)
SCHEMBL6454977 0.80 TLR4 (0.38)
SCHEMBL6454974 0.80 TLR4 (0.38)

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