SCHEMBL8216786

SCHEMBL8216786

CCCCCCOc1ccc(OC(=O)C2CCC(CC)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
S1PR5 Q9H228 7/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G4B P0C869 1/20 0.49
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 4/20 0.48
NR5A1 Q13285 1/20 0.48
FAAH O00519 3/20 0.47

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
SCHEMBL11405788 0.96 TP53 (0.47) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL11407666 0.95 NPC1 (0.45) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL9590453 0.93 S1PR5 (0.43) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL9590461 0.93 S1PR5 (0.43) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL11405389 0.92 SMN1; SMN2 (0.46) S1PR5NPC1LMNASMN1; SMN2S1PR1
SCHEMBL9590953 0.91 SMN1; SMN2 (0.43) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL9590945 0.91 SMN1; SMN2 (0.43) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL11320217 0.91 TP53 (0.49) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL11320213 0.91 TP53 (0.49) TP53TSHRS1PR5NFKB1NFKB2
SCHEMBL9192428 0.91 TP53 (0.49) TP53TSHRS1PR5NFKB1NFKB2

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
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0828700-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1998-03-18 EP disclosed
WO-1996037451-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1996-11-28 WO disclosed