SCHEMBL7729925

SCHEMBL7729925

CCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(OC(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7729922 1.00 IDO1 (0.34) IDO1ALDH1A1LMNAMAPTTRPV3
SCHEMBL7731775 0.97 IDO1 (0.32) IDO1
SCHEMBL7731773 0.97 IDO1 (0.32) IDO1
SCHEMBL7731766 0.97 IDO1 (0.32) IDO1
SCHEMBL7734811 0.93 ALDH1A1 (0.40) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7734821 0.93 ALDH1A1 (0.40) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729807 0.91 ALDH1A1 (0.34) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729806 0.91 ALDH1A1 (0.34) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729433 0.90 ALDH1A1 (0.38) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729446 0.90 ALDH1A1 (0.38) IDO1ALDH1A1LMNAMAPTCYP2C9

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 3 patents. 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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed