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SCHEMBL7735334

SCHEMBL7735334

CC[C@H]1CC[C@H](C2CCC(c3ccc(C(F)(F)Oc4ccc(OC(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.34
▸ FFAR1 O14842 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ PDE4B Q07343 1/20 0.30
▸ PDE2A O00408 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
SCHEMBL7735338 1.00 IDO1 (0.34) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7735339 1.00 IDO1 (0.34) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7722845 0.97 IDO1 (0.35) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7722850 0.97 IDO1 (0.35) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7731355 0.93 ALDH1A1 (0.37) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7731362 0.93 ALDH1A1 (0.37) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7731367 0.93 ALDH1A1 (0.37) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7733588 0.91 IDO1 (0.33) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7733590 0.91 IDO1 (0.33) IDO1FFAR1CYP2C9KCNH2CACNA1C
SCHEMBL7733584 0.91 IDO1 (0.33) IDO1FFAR1CYP2C9KCNH2CACNA1C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 — — EP disclosed