SCHEMBL6456786

SCHEMBL6456786

C/C=C/CCC1CCC2CC(c3ccc(OC(F)F)cc3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MDM2 Q00987 1/20 0.31
POLB P06746 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
SCHEMBL6456784 1.00 IDO1 (0.35) IDO1MAPTALDH1A1TSHRMDM2
SCHEMBL6456790 1.00 IDO1 (0.35) IDO1MAPTALDH1A1TSHRMDM2
SCHEMBL5687311 0.95 IDO1 (0.33) IDO1
SCHEMBL5687314 0.95 IDO1 (0.33) IDO1
SCHEMBL6453569 0.87 IDO1 (0.36) IDO1MAPTALDH1A1TSHRMDM2
SCHEMBL6453574 0.87 IDO1 (0.36) IDO1MAPTALDH1A1TSHRMDM2
SCHEMBL6460176 0.86 IDO1 (0.34) IDO1
SCHEMBL6460177 0.86 IDO1 (0.34) IDO1
SCHEMBL6455248 0.86 DRD2 (0.36)
SCHEMBL6455247 0.86 DRD2 (0.36)

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