SCHEMBL9333448

SCHEMBL9333448

CCC#Cc1ccc(C#Cc2ccc(OCCCCCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
LTA4H P09960 4/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RARB P10826 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46

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
SCHEMBL9335357 1.00 NR5A1 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9332649 1.00 NR5A1 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL4818981 0.98 NR5A1 (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9333143 0.98 NR5A1 (0.53) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9333010 0.95 CHRNB2 (0.50) NR5A1LTA4HTSHRGAARAB9A
SCHEMBL18290925 0.93 LTA4H (0.50) NR5A1LTA4HTP53TSHRGAA
SCHEMBL10300046 0.91 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL15559300 0.91 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9799937 0.89 NR5A1 (0.51) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9799789 0.89 NR5A1 (0.51) NR5A1LTA4HTP53TSHRPLA2G4B

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-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed
EP-0377516-A2 Liquid crystal compounds having high optical anisotropy Chisso Corporation (JP) 1990-07-11 EP disclosed