SCHEMBL8972203

SCHEMBL8972203

CCCCCCCCOc1ccc(COc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
RARB P10826 3/20 0.57
NR5A1 Q13285 1/20 0.56
GSTP1 P09211 1/20 0.55
CHRNA7 P36544 2/20 0.52
FFAR1 O14842 1/20 0.52
LSS P48449 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL15923575 0.90 LTA4H (0.66) LTA4HNR5A1CHRNA7CYP2C19TP53
SCHEMBL27974031 0.90 LTA4H (0.66) LTA4HNR5A1CHRNA7CYP2C19TP53
SCHEMBL9150960 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL9153960 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL9155701 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL1533181 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL9151222 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL2779495 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL9152810 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS
SCHEMBL9153955 0.90 LTA4H (0.70) LTA4HRARBNR5A1CHRNA7LSS

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-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed