SCHEMBL6458388

SCHEMBL6458388

CCOc1ccc(-c2ccc(C3CCC4CC(C)CCC4C3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
FPR2 P25090 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FASN P49327 1/20 0.31
RAB9A P51151 1/20 0.31
NAAA Q02083 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ESR2 Q92731 1/20 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
SCHEMBL6458387 1.00 KDM1A (0.36) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL10052063 0.88 ESR2 (0.41) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL28559153 0.88 ESR2 (0.41) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL6455488 0.87 KDM1A (0.36) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL6455492 0.87 KDM1A (0.36) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL15256178 0.87 ESR2 (0.40) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL17827784 0.86 KDM1A (0.39) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL26209577 0.86 KDM1A (0.39) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL6453325 0.85 KDM1A (0.34) KDM1AFPR2FFAR4MEN1KMT2A
SCHEMBL6453329 0.85 KDM1A (0.34) KDM1AFPR2FFAR4MEN1KMT2A

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