SCHEMBL8078671

SCHEMBL8078671

CCCCOC1(c2ccccc2OCC)CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
RXRA P19793 1/20 0.40
HNF4A P41235 1/20 0.40
S1PR5 Q9H228 6/20 0.39
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR1 P21453 6/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.36
S1PR3 Q99500 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8043547 0.81 L3MBTL1 (0.40) TSHRRXRAHNF4AS1PR5GLA
SCHEMBL8044997 0.81 L3MBTL1 (0.39) TSHRRXRAHNF4AS1PR5GLA
SCHEMBL7507058 0.79 PDE4B (0.41) TSHRS1PR5GLAL3MBTL1PDE4B
SCHEMBL8045475 0.79 GLA (0.41) TSHRGLAL3MBTL1PDE4BLMNA
SCHEMBL7511978 0.75 PDE4B (0.40) S1PR5PDE4BLMNAMEN1KMT2A
SCHEMBL10790633 0.75 PDE4B (0.38) TSHRS1PR5PDE4BLMNAMEN1
SCHEMBL7514436 0.70 HTT (0.43) PDE4BMEN1KMT2A
SCHEMBL11645375 0.69 KMT2A (0.62) TSHRRXRAL3MBTL1LMNAMEN1
SCHEMBL23261664 0.68 GLA (0.51) TSHRRXRAHNF4AGLAL3MBTL1
SCHEMBL9797648 0.67 MEN1 (0.56) TSHRS1PR5L3MBTL1PDE4BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed