SCHEMBL8453587

SCHEMBL8453587

FCC/C=C/[C@H]1CC[C@H](C2CCC(c3ccc(OC(F)F)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MDM2 Q00987 1/20 0.30
HDAC2 Q92769 1/20 0.30
MAT2A P31153 1/20 0.30
DRD1 P21728 1/20 0.30
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
SCHEMBL8453593 1.00 IDO1 (0.37) IDO1SLC6A4ALDH1A1TSHRMDM2
SCHEMBL8447958 0.96 IDO1 (0.39) IDO1SLC6A4ALDH1A1TSHRMDM2
SCHEMBL8447964 0.96 IDO1 (0.39) IDO1SLC6A4ALDH1A1TSHRMDM2
SCHEMBL8447970 0.96 IDO1 (0.39) IDO1SLC6A4ALDH1A1TSHRMDM2
SCHEMBL9408453 0.85 IDO1 (0.40) IDO1ALDH1A1TSHRMDM2HDAC2
SCHEMBL9299878 0.84 IDO1 (0.39) IDO1SLC6A4ALDH1A1TSHRMDM2
SCHEMBL9303856 0.84 IDO1 (0.39) IDO1ALDH1A1TSHRMDM2MAT2A
SCHEMBL9303860 0.84 IDO1 (0.39) IDO1ALDH1A1TSHRMDM2MAT2A
SCHEMBL9175201 0.84 IDO1 (0.39) IDO1ALDH1A1TSHRMDM2MAT2A
SCHEMBL9175212 0.84 IDO1 (0.39) IDO1ALDH1A1TSHRMDM2MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed