SCHEMBL8215745

SCHEMBL8215745

CCCCCC1CCC(CCCCc2ccc(-c3ccc(C4CCC(COC)CC4)c(F)c3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.36
SPHK1 Q9NYA1 14/20 0.36
SPHK2 Q9NRA0 9/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
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
SCHEMBL8208520 0.96 FFAR4 (0.33) RARBSPHK1FFAR4
SCHEMBL8215972 0.96 GAA (0.32) RARBSPHK1FFAR4
SCHEMBL8208566 0.96 FFAR4 (0.33) RARBSPHK1FFAR4
SCHEMBL8216667 0.89 ALOX5AP (0.32) FFAR4
SCHEMBL8216052 0.89 ALOX5AP (0.32) FFAR4
SCHEMBL18779733 0.87 RARB (0.35) RARBSPHK1FFAR4
SCHEMBL8947533 0.85 ALOX5AP (0.32) RARBSPHK1FFAR4TSHR
SCHEMBL15581191 0.84 RARB (0.32) RARBFFAR4
SCHEMBL18779735 0.84 GAA (0.35) RARBSPHK1
SCHEMBL18779736 0.84 MAOA (0.33) RARBSPHK1FFAR4

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