SCHEMBL8216899

SCHEMBL8216899

CCCCCC1CCC(CCc2ccc(-c3ccc(CCC4CCC(COC)CC4)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
S1PR1 P21453 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
AVPR1B P47901 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8215809 0.92 RARB (0.34) RARBRARARARGHTR2AHTR2C
SCHEMBL8219129 0.92 RARB (0.34) RARBRARARARGHTR2AHTR2C
SCHEMBL7024851 0.89 RARB (0.41) RARBRARARARGS1PR1GPR84
SCHEMBL7024857 0.85 RARB (0.44) RARBRARARARGS1PR1GPR84
SCHEMBL8215078 0.83 RARB (0.43) RARBRARARARGS1PR1GPR84
SCHEMBL7916265 0.83 RARB (0.40) RARBRARARARGS1PR1HTR2A
SCHEMBL7916260 0.83 RARB (0.40) RARBRARARARGS1PR1HTR2A
SCHEMBL7916257 0.83 RARB (0.40) RARBRARARARGS1PR1HTR2A
SCHEMBL7916263 0.83 RARB (0.40) RARBRARARARGS1PR1HTR2A
SCHEMBL8816486 0.82 RARB (0.47) RARBRARARARGGPR84TSHR

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-6117361-A FOUR RING COMPOUND HAVING AN ALKYL GROUP SUBSTITUTED WITH ONE OR MORE ETHERS, AND A HALOGEN ATOM SUBSTITUTED BENZENE RING; BROAD TEMPERATURE RANGE OF NEMATIC PHASE, HIGHER MISCIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS, AND CHEMICAL STABILITY CHISSO CORP. (JP) 2000-09-12 US disclosed
EP-0891961-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED 1,4-PHENYLENE SKELETONS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-20 EP disclosed