SCHEMBL8219141

SCHEMBL8219141

CCCC1CCC(CCc2ccc(-c3ccc(C4CCC(COC)CC4)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.38
DGAT1 O75907 1/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8216127 1.00 OPRL1 (0.38) OPRL1DGAT1RARBRARARARG
SCHEMBL8217745 0.93 RARB (0.38) OPRL1DGAT1RARBRARARARG
SCHEMBL8217740 0.93 RARB (0.38) OPRL1DGAT1RARBRARARARG
SCHEMBL8208485 0.92 OPRL1 (0.43) OPRL1DGAT1FFAR4
SCHEMBL8208573 0.89 OPRL1 (0.37) OPRL1DGAT1
SCHEMBL8216711 0.89 OPRL1 (0.41) OPRL1DGAT1FFAR4
SCHEMBL8220251 0.87 OPRL1 (0.33) OPRL1RARBGPR84FFAR4
SCHEMBL8217753 0.87 OPRL1 (0.33) OPRL1RARBGPR84FFAR4
SCHEMBL8219129 0.86 RARB (0.34) RARBRARARARGGPR84
SCHEMBL8215809 0.86 RARB (0.34) RARBRARARARGGPR84

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