SCHEMBL10360249

SCHEMBL10360249

C=CCC1CCC(C(C)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.35
OPRD1 P41143 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MCOLN3 Q8TDD5 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
SCHEMBL11014789 0.81 IDO1 (0.35) GAAL3MBTL1IDO1OPRD1CYP2C19
SCHEMBL10405701 0.80 IDO1 (0.48) GAAL3MBTL1IDO1ALDH1A1MCOLN3
SCHEMBL9346796 0.80 GAA (0.41) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL16191465 0.80 GAA (0.41) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL16191231 0.78 GAA (0.40) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL9508994 0.77 IDO1 (0.33) IDO1OPRD1CYP2C19
SCHEMBL8483120 0.77 GAA (0.39) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL1031530 0.77 GAA (0.39) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL9346325 0.75 GAA (0.38) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL7769740 0.75 GAA (0.38) GAAL3MBTL1IDO1SIGMAR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276067-B1 NOVEL TOLAN TYPE LIQUID CRYSTAL COMPOUND Chisso Corporation (JP) 1990-12-27 EP disclosed
US-4816180-A CYCLOHEXYLETHYL, HALOGEN DERIVATIVES FOR DISPLAYS CHISSO CORPORATION (JP) 1989-03-28 US disclosed
EP-0276067-A1 Novel tolan type liquid crystal compound Chisso Corporation (JP) 1988-07-27 EP disclosed