SCHEMBL9498490

SCHEMBL9498490

CCCCCOc1ccc(C(O)CC)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.58
LTA4H P09960 3/20 0.54
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
SLC2A1 P11166 1/20 0.51
LMNA P02545 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
PLA2G4B P0C869 2/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL9501934 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9499113 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9500533 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9499161 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9499075 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9500254 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9500511 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9499186 0.96 LTA4H (0.52) NR5A1LTA4HSLC2A1LMNA
SCHEMBL9500557 0.95 RARB (0.55) NR5A1LTA4HTP53TSHRSLC2A1
SCHEMBL9498227 0.94 RARB (0.57) NR5A1LTA4HTP53TSHRSLC2A1

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-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed