SCHEMBL6463207

SCHEMBL6463207

CCCC=CC1CCC2CC(c3ccc(OC(F)F)cc3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6463205 1.00 IDO1 (0.37) IDO1RAB9ASMN1; SMN2
SCHEMBL6463200 1.00 IDO1 (0.37) IDO1RAB9ASMN1; SMN2
SCHEMBL5684694 0.95 IDO1 (0.35) IDO1RAB9A
SCHEMBL5684690 0.95 IDO1 (0.35) IDO1RAB9A
SCHEMBL6457368 0.86 DRD2 (0.42) RAB9ASMN1; SMN2
SCHEMBL6457381 0.86 DRD2 (0.42) RAB9ASMN1; SMN2
SCHEMBL6457374 0.86 DRD2 (0.42) RAB9ASMN1; SMN2
SCHEMBL5683710 0.85 IDO1 (0.36) IDO1
SCHEMBL5683707 0.85 IDO1 (0.36) IDO1
SCHEMBL6455657 0.84 IDO1 (0.35) IDO1

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