SCHEMBL8439206

SCHEMBL8439206

CCCC1(OC(=O)c2ccc(/C(F)=C(\C)F)cc2)CCC(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
SLC18A3 Q16572 6/20 0.35
DHFR P00374 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
DRD2 P14416 2/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL27475789 0.89 SLC18A3 (0.43) ALDH1A1MAPTSLC18A3DHFRDRD2
SCHEMBL11048064 0.80 SLC18A3 (0.37) ALDH1A1MAPTSLC18A3
SCHEMBL7517312 0.78 SLC18A3 (0.36) ALDH1A1MAPTSLC18A3CYP3A4TSHR
SCHEMBL28588173 0.77 ALDH1A1 (0.41) ALDH1A1MAPTSLC18A3DHFRDRD2
SCHEMBL17319429 0.75 LMNA (0.50) ALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL28155395 0.74 LMNA (0.46) SMN1; SMN2CYP3A4TSHR
SCHEMBL7125778 0.74 FASN (0.36) ALDH1A1
SCHEMBL9719627 0.72 SIGMAR1 (0.38)
SCHEMBL5325877 0.71 ALDH1A1 (0.46) ALDH1A1MAPTTSHR
SCHEMBL11248829 0.71 SIGMAR1 (0.38)

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
US-5866035-A LARGE BIREFRINGENCE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-02 US disclosed